SCHEMBL8715710

SCHEMBL8715710

CC(CN)(Cc1c[nH]c2ccccc12)OC(=O)NCC(O)(CO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
FAAH O00519 1/20 0.40
TACR1 P25103 3/20 0.40
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TACR3 P29371 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 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
SCHEMBL8715705 0.75 TACR1 (0.46) CTSLCTSSCTSKTACR1TACR3
SCHEMBL9338291 0.75 CCKBR (0.44) CCKBRTACR1KDM4EAPAF1POLB
SCHEMBL8705350 0.73 PKM (0.47) TACR1KDM4EAPAF1POLBMAPT
SCHEMBL19100705 0.68 CTSL (0.58) CTSLCTSSCTSKFAAHTACR1
SCHEMBL8892465 0.67 KDM4E (0.49) CCKBRTACR1KDM4EAPAF1POLB
SCHEMBL8892454 0.67 KDM4E (0.49) CCKBRTACR1KDM4EAPAF1POLB
SCHEMBL5745010 0.66 MEN1 (0.67) FAAHPOLBMEN1LMNACYP1A2
SCHEMBL8829818 0.66 GPR84 (0.48) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL8829820 0.66 GPR84 (0.48) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL200589 0.66 MAPT (0.54) KDM4EAPAF1POLBMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726200-A Pro-drugs for CCK antagonists WARNER-LAMBERT COMPANY (US) 1998-03-10 US disclosed