SCHEMBL6999918

SCHEMBL6999918

Nc1cc(Cl)cnc1OCC(=O)N1C2CCCC1CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.40
FPR3 P25089 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
GPR35 Q9HC97 1/20 0.38
S1PR5 Q9H228 1/20 0.37
GRM2 Q14416 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL6996220 0.96 CCR1 (0.43) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7001642 0.89 GRM2 (0.41) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7001654 0.86 CCR1 (0.38) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7001971 0.82 MEN1 (0.38)
SCHEMBL7002094 0.82 CCR1 (0.47) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6999003 0.82 CCR1 (0.41) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7004493 0.80 PTGER4 (0.43) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7004496 0.80 CCR1 (0.41) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6761301 0.79 HCRTR2 (0.40) OPRM1OPRK1
SCHEMBL6761297 0.79 HCRTR2 (0.40) OPRM1OPRK1

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-1326867-A2 BRIDGED PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-07-16 EP disclosed
WO-2002032901-A2 BRIDGED PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed