SCHEMBL4633737

SCHEMBL4633737

CCOC(=O)CNCC1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
KDM1A O60341 1/20 0.38
OPRM1 P35372 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
LTA4H P09960 3/20 0.37
PPID Q08752 2/20 0.37
RORC P51449 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPIG Q13427 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
SCHEMBL5672733 0.87 HDAC2 (0.41) OPRD1KDM1ANPC1RORCRAB9A
SCHEMBL4634933 0.83 OPRD1 (0.40) OPRD1OPRM1NPC1KMT2APPID
SCHEMBL5671905 0.76 CCR1 (0.52) NPC1KMT2AMAPK1
SCHEMBL4635399 0.75 KDM1A (0.41) KDM1AOPRM1KMT2APOLBRORC
SCHEMBL4634337 0.74 OPRM1 (0.43) OPRD1KDM1AOPRM1KMT2A
SCHEMBL3176370 0.71 LMNA (0.51) KMT2APOLBLTA4HPPIDMAPK1
SCHEMBL4634991 0.71 HSD11B1 (0.41) KMT2APOLBMAPK1
SCHEMBL21388111 0.71 KDM1A (0.40) KDM1AKMT2APOLBRORCMAPK1
SCHEMBL4634641 0.71 ALDH1A1 (0.41) POLBRORC
SCHEMBL5671953 0.71 HDAC2 (0.41) OPRD1KDM1ANPC1RORC

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
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed