SCHEMBL10839670

SCHEMBL10839670

CCC(=O)C1N(c2ccccc2)CC2CCCN21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 2/20 0.37
FFAR1 O14842 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL10839714 0.85 HRH3 (0.40) KMT2AHRH3SLC18A3ALDH1A1LMNA
SCHEMBL4799227 0.85 NOTUM (0.43) MEN1KMT2AHRH3SLC18A3ALDH1A1
SCHEMBL4799232 0.85 NOTUM (0.43) MEN1KMT2AHRH3SLC18A3ALDH1A1
SCHEMBL10839706 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL10838330 0.82 HPGD (0.35) HRH3SLC18A3HPGDSMN1; SMN2
SCHEMBL10839275 0.82 HRH3 (0.38) KMT2AHRH3SLC18A3ALDH1A1HPGD
SCHEMBL4801000 0.82 AGTR2 (0.42) MEN1KMT2AHRH3SLC18A3ALDH1A1
SCHEMBL10839827 0.81 KDM4E (0.41) MEN1KMT2AHRH3ALDH1A1LMNA
SCHEMBL11390143 0.80 POLB (0.38) KMT2AHRH3ALDH1A1LMNAHPGD
SCHEMBL11108763 0.77 ALDH1A1 (0.34) ALDH1A1LMNAHPGDSMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55162787-A None JP disclosed
US-4584387-A INTERMEDIATES FOR ALPHA-HYDROXY ALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-22 US disclosed
EP-0050351-B1 OPTICALLY ACTIVE OR RACEMIC ALPHA-HYDROXYALDEHYDES AND BENZYL DERIVATIVES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-03-27 EP disclosed
US-4383122-A HYDROCARBOYL-1,3-DIAZABICYCLO(3.3.0)OCTANE, GRIGNARD REAGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-10 US disclosed
EP-0011417-B1 OPTICALLY ACTIVE OR RACEMIC AMINAL DERIVATIVES, PROCESS FOR PREPARING SAME AND FOR CONVERTING SAME TO ALPHA-HYDROXYALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-04 EP disclosed
US-4337346-A CONDENSATION OF A GLYOXAL WITH AN N-SUBSTITUTED AMINOMETHYLPYRROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US disclosed
EP-0050351-A1 Optically active or racemic alpha-hydroxyaldehydes and benzyl derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-28 EP disclosed
JP-S55162787-A AMINAL DERIVATIVE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1980-12-18 JP disclosed
EP-0011417-A1 Optically active or racemic aminal derivatives, process for preparing same and for converting same to alpha-hydroxyaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-28 EP disclosed