SCHEMBL7004493

SCHEMBL7004493

NC(=O)CNC(=O)c1cc(Cl)cnc1OCC(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
CCR1 P32246 9/20 0.42
FPR3 P25089 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MCHR1 Q99705 3/20 0.37
CCR2 P41597 2/20 0.37
HTR4 Q13639 1/20 0.37
RIPK1 Q13546 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2C9 P11712 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
SCHEMBL6995002 0.87 CCR1 (0.44) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL7001642 0.85 GRM2 (0.41) PTGER4PTGER2CCR1FPR3GPR65
SCHEMBL7004496 0.84 CCR1 (0.41) PTGER4PTGER2CCR1FPR3GPR65
SCHEMBL6996220 0.83 CCR1 (0.43) CCR1FPR3GPR65GPR35HTR4
SCHEMBL7002094 0.81 CCR1 (0.47) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6999918 0.80 CCR1 (0.40) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6999003 0.79 CCR1 (0.41) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7002872 0.76 CCR1 (0.51) CCR1FPR3GPR65GPR35HTR4
SCHEMBL6999933 0.76 MEN1 (0.37) PTGER4PTGER2CCR1MEN1HTR1A
SCHEMBL6993640 0.76 CCR1 (0.59) CCR1FPR3GPR65GPR35MCHR1

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