SCHEMBL4634933

SCHEMBL4634933

CCOC(=O)CNC1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.40
OPRM1 P35372 2/20 0.39
NPC1 O15118 1/20 0.39
PPID Q08752 2/20 0.38
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPIG Q13427 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SSTR5 P35346 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
RORC P51449 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5671953 0.86 HDAC2 (0.41) OPRD1NPC1RORC
SCHEMBL4633737 0.83 OPRD1 (0.39) OPRD1OPRM1NPC1PPIDPPIB
SCHEMBL4634991 0.80 HSD11B1 (0.41) MEN1KMT2AALDH1A1GAA
SCHEMBL5807513 0.77 HTT (0.41) ALDH1A1GAA
SCHEMBL4635362 0.75 HSD11B1 (0.40) OPRD1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5810883 0.72 HSD11B1 (0.43) ALDH1A1
SCHEMBL4634537 0.71 CYP46A1 (0.50) OPRD1OPRM1SSTR5
SCHEMBL5234910 0.71 OPRD1 (0.50) OPRD1OPRM1NPC1MEN1KMT2A
SCHEMBL5672733 0.71 HDAC2 (0.41) OPRD1NPC1RORC
SCHEMBL2798597 0.70 ALDH1A1 (0.43) ALDH1A1

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