SCHEMBL9463233

SCHEMBL9463233

c1ccc(-c2cccc3c2C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.53
ANPEP P15144 2/20 0.53
IL1RN P18510 1/20 0.53
ERAP2 Q6P179 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
KDR P35968 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PNMT P11086 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL27684703 0.96 ANPEP (0.50) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL1685149 0.95 ANPEP (0.47) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL70992 0.86 PNMT (0.53) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL29809707 0.86 PNMT (0.53) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL29401802 0.86 PNMT (0.53) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL11105206 0.86 ANPEP (0.54) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL27718430 0.85 PNMT (0.52) PRCPANPEPIL1RNERAP2ERAP1
Bromide SCHEMBL15404509 0.85 PNMT (0.52) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL28928665 0.83 PNMT (0.50) PRCPANPEPIL1RNERAP2ERAP1
Water SCHEMBL27894037 0.83 PNMT (0.50) PRCPANPEPIL1RNERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US claimed
US-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed