SCHEMBL72716

SCHEMBL72716

OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.81
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
FUCA1 P04066 2/20 0.58
ACHE P22303 2/20 0.58
LTA4H P09960 5/20 0.57
BCHE P06276 1/20 0.57
BACE1 P56817 1/20 0.57
CCR3 P51677 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
SLC18A3 Q16572 1/20 0.55
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL608225 1.00 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AFUCA1ACHE
SCHEMBL741364 1.00 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AFUCA1ACHE
Water SCHEMBL2362659 0.98 ALDH1A1 (0.78) ALDH1A1NPC1RAB9AFUCA1ACHE
Pyridine SCHEMBL27293199 0.91 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AFUCA1ACHE
SCHEMBL1787570 0.89 ALDH1A1 (1.00) ALDH1A1FUCA1LTA4HCYP1A2CYP3A4
SCHEMBL5205368 0.89 ALDH1A1 (1.00) ALDH1A1FUCA1LTA4HCYP1A2CYP3A4
SCHEMBL1552926 0.89 ALDH1A1 (1.00) ALDH1A1FUCA1LTA4HCYP1A2CYP3A4
SCHEMBL5743125 0.89 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AACHELTA4H
SCHEMBL5744592 0.89 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AACHELTA4H
SCHEMBL18667248 0.89 ALDH1A1 (0.74) ALDH1A1NPC1RAB9AFUCA1ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1015 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285519-B Preparation method of 5,5' -dimethylpyrrolidine-3-alcohol 无锡科华生物科技有限公司 2025-04-18 CN claimed
CN-119285519-A Preparation method of 5,5' -dimethylpyrrolidine-3-alcohol 无锡科华生物科技有限公司 2025-01-10 CN claimed
CN-111718250-B Method for preparing R-citronellal 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-110724084-B Synthesis method of (S) -3-hydroxy-1-benzylpyrrolidine 苏州永健生物医药有限公司 2022-03-04 CN claimed
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN claimed
CN-111718250-A Method for preparing R-citronellal 万华化学集团股份有限公司 2020-09-29 CN claimed
EP-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP claimed
CN-110724084-A Synthesis method of (S) -3-hydroxy-1-benzylpyrrolidine 苏州永健生物医药有限公司 2020-01-24 CN claimed
CN-106938980-B A kind of preparation method of 5- benzyl -5-N miscellaneous spiral shell [2.4] heptane -1- carboxylic acid 无锡捷化医药科技有限公司 2019-11-29 CN claimed
CN-106045802-B A kind of alicyclic and araliphatic chloro-formate preparation method 长江大学 2019-02-01 CN claimed
US-6214610-B1 TREATING N-BENZYL-3-PYRROLIDINONE WITH CELLS OR A CULTURE OF GENUS DIPODASCUS, MICROCOCCUS, KOMAGATAELLA OR OGATAEA, AND RECOVERING OPTICALLY ACTIVE PRODUCT; CHEMICAL INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS AND DIHYDROPYRIDINE COMPOUNDS KANEKA CORPORATION (JP) 2001-04-10 US claimed
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 US claimed
WO-2000029606-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE-3-HYDROXY-PYRROLIDINE DERIVATIVES BY ENZYMATIC HYDROXYLATION Eidgenössische Technische Hochschule Zürich (CH) 2000-05-25 WO claimed
CN-1238808-A Process for preparing optically active N-benzyl-3-pyrrolidinol KANEDA CORP (JP) 1999-12-15 CN claimed
EP-0942068-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE N-BENZYL-3-PYRROLIDINOL KANEKA CORPORATION (JP) 1999-09-15 EP claimed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US claimed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US claimed
US-5187094-A Using Pseudomonas or Mucor stereospecific esterases for hydrolysis of racemic mixtures of N-benzyl-3-acyloxy-pyrrolidine KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-02-16 US claimed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP claimed
EP-0391169-A2 Enantiomeric pure 7-(3-amino-1-pyrrolidinyl)-chinolon-and-naphthyridon carboxylic acids BAYER AG (DE) 1990-10-10 EP claimed