SCHEMBL8079490

SCHEMBL8079490

CCCNC(=O)CNC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
SLC7A5 Q01650 1/20 0.41
DPP7 Q9UHL4 2/20 0.40
PSMB5 P28074 3/20 0.38
RRM1 P23921 1/20 0.37
LARS1 Q9P2J5 1/20 0.37
MCL1 Q07820 1/20 0.37
EPHX1 P07099 1/20 0.37
OPRD1 P41143 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL6507884 0.88 DPP7 (0.50) ANPEPRNPEPDNPEPSLC7A5DPP7
Bromide SCHEMBL7287179 0.85 ANPEP (0.57) ANPEPRNPEPDNPEPSLC7A5LARS1
SCHEMBL2322417 0.81 ALDH1A1 (0.47) ANPEPRNPEPDNPEPSLC7A5PSMB5
SCHEMBL11291910 0.81 ALDH1A1 (0.47) ANPEPRNPEPDNPEPSLC7A5PSMB5
SCHEMBL10659991 0.81 SLC7A5 (0.42) ANPEPRNPEPDNPEPSLC7A5PSMB5
SCHEMBL11291916 0.81 ALDH1A1 (0.47) ANPEPRNPEPDNPEPSLC7A5PSMB5
SCHEMBL1036014 0.81 ALDH1A1 (0.47) ANPEPRNPEPDNPEPSLC7A5PSMB5
SCHEMBL29006326 0.81 ALDH1A1 (0.47) ANPEPRNPEPDNPEPSLC7A5PSMB5
Hydrochloric Acid SCHEMBL10664913 0.80 SLC7A5 (0.41) ANPEPRNPEPDNPEPSLC7A5PSMB5
SCHEMBL7439605 0.79 CACNA1B (0.42) PSMB5MCL1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469693-A 2-(4-Substituted alkyl-1-piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives AYERST, MCKENNA & HARRISON INC. (CA) 1984-09-04 US claimed
EP-0722327-B1 IMPROVEMENTS RELATING TO ANTIBACTERIAL COMPOSITIONS UNILEVER PLC (GB) 2000-11-22 EP disclosed
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0722327-A1 IMPROVEMENTS RELATING TO ANTIBACTERIAL COMPOSITIONS UNILEVER PLC (GB) 1996-07-24 EP disclosed
WO-1995009638-A1 IMPROVEMENTS RELATING TO ANTIBACTERIAL COMPOSITIONS UNILEVER PLC (GB) 1995-04-13 WO disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed