SCHEMBL8083108

SCHEMBL8083108

NC1(Cc2ccccc2)CCCN(CC(=O)O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.57
PRSS1 P07477 7/20 0.57
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
F10 P00742 1/20 0.46
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACE P12821 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
Hydrochloric Acid SCHEMBL27484359 0.82 MEN1 (0.51) F2PRSS1KMT2AMEN1F10
SCHEMBL8913362 0.81 F2 (0.47) F2PRSS1KMT2AMEN1F10
SCHEMBL8913564 0.77 F2 (0.44) F2PRSS1KMT2AMEN1F10
SCHEMBL8082535 0.77 KMT2A (0.40) F2PRSS1KMT2APOLBCYP2D6
SCHEMBL8082537 0.77 KMT2A (0.40) F2PRSS1KMT2APOLBCYP2D6
SCHEMBL2311285 0.74 ALDH1A1 (0.44) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL2306405 0.73 MMP1 (0.48) KMT2APOLBCYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27508550 0.73 F2 (0.41) F2PRSS1KMT2AMEN1ALDH1A1
SCHEMBL8087931 0.71 PPIA (0.51) F2PRSS1KMT2APOLBCYP2D6
SCHEMBL4680616 0.71 KDM1A (0.39) F2PRSS1KMT2AMEN1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6034215-A 3-amino-2-oxo-1-piperidnercetic derivatives as enzyme inhibitors CORVAS INTERNATIONAL, INC. (US) 2000-03-07 US disclosed
US-5703208-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-12-30 US disclosed
EP-0802923-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-10-29 EP disclosed
WO-1995035311-A9 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS 1996-02-01 WO disclosed
WO-1995035311-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 WO disclosed