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SCHEMBL5972011

SCHEMBL5972011

CC1CN(C(=O)COc2ccc(Cl)cc2CNC2CC2)C(C)CN1Cc1ccc(F)cc1.CCN(CC)Cc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 19/20 0.68
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ FPR3 P25089 1/20 0.48
▸ GPR65 Q8IYL9 1/20 0.48
▸ GPR35 Q9HC97 1/20 0.48

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
SCHEMBL4588628 0.94 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4588626 0.94 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4588632 0.94 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587678 0.93 CCR1 (0.78) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587675 0.93 CCR1 (0.78) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587669 0.93 CCR1 (0.78) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6835259 0.87 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6836237 0.87 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6835258 0.87 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589300 0.86 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35

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-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 — — EP disclosed
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 — — WO disclosed