SCHEMBL7004496

SCHEMBL7004496

CN(C(N)=O)C(=O)c1cc(Cl)cnc1OCC(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.41
FPR3 P25089 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
GPR35 Q9HC97 1/20 0.38
S1PR5 Q9H228 1/20 0.36
MLNR O43193 2/20 0.35
GRM2 Q14416 2/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL7001642 0.85 GRM2 (0.41) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7004493 0.84 PTGER4 (0.43) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6996220 0.83 CCR1 (0.43) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6999918 0.80 CCR1 (0.40) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7002094 0.79 CCR1 (0.47) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6999003 0.79 CCR1 (0.41) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6995002 0.77 CCR1 (0.44) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6999933 0.76 MEN1 (0.37) CCR1PTGER4PTGER2
SCHEMBL7001654 0.76 CCR1 (0.38) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6997000 0.75 CCR1 (0.49) CCR1FPR3GPR65GPR35S1PR5

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