SCHEMBL8225328

SCHEMBL8225328

NN1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.66
ALDH1A1 P00352 4/20 0.62
USP2 O75604 1/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
SIGMAR1 Q99720 1/20 0.61
BLM P54132 1/20 0.61
MAOB P27338 1/20 0.59
TSHR P16473 1/20 0.59
ACHE P22303 1/20 0.58
POLB P06746 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALOX15 P16050 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7129676 0.89 HPGD (0.79) HPGDALDH1A1USP2CA12CA1
SCHEMBL252026 0.89 HPGD (0.79) HPGDALDH1A1USP2CA12CA1
Hydrochloric Acid SCHEMBL1597472 0.87 HPGD (0.76) HPGDALDH1A1USP2CA12CA1
SCHEMBL1938606 0.83 HPGD (0.70) HPGDALDH1A1USP2CA12CA1
SCHEMBL27989163 0.83 ALDH1A1 (0.85) HPGDALDH1A1USP2CA12CA1
SCHEMBL2614241 0.83 HPGD (0.84) HPGDALDH1A1USP2CA12CA1
SCHEMBL4143492 0.82 HPGD (0.68) HPGDALDH1A1USP2CA12CA1
SCHEMBL1263133 0.81 HPGD (0.88) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL254870 0.81 HPGD (0.96) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL18228404 0.81 HPGD (0.96) HPGDALDH1A1USP2SIGMAR1BLM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193750-B Suppress mitotic Compounds and methods for by suppressing aurora kinase 千禧药品公司 2018-04-27 CN disclosed
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 WO disclosed
WO-2007144639-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-12-21 WO disclosed
EP-0436734-B1 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0436734-A1 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
EP-0215902-A1 PROCESS FOR 4-AMINO QUINOLINES THE UPJOHN COMPANY (US) 1987-04-01 EP disclosed
WO-1986005489-A1 PROCESS FOR 4-AMINO QUINOLINES THE UPJOHN COMPANY (US) 1986-09-25 WO disclosed
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed