SCHEMBL5972115

SCHEMBL5972115

Cc1ccc(OCC(=O)N2CC(C)N(Cc3ccc(F)cc3)C[C@@H]2C)c(N)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.67
FPR3 P25089 1/20 0.49
GPR65 Q8IYL9 1/20 0.49
GPR35 Q9HC97 1/20 0.49
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
NQO2 P16083 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ACTR2 P61160 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL4588914 1.00 CCR1 (0.67) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL4588909 1.00 CCR1 (0.67) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL4588918 1.00 CCR1 (0.67) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL5059083 0.92 CCR1 (0.64) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL5059079 0.92 CCR1 (0.64) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL5059080 0.92 CCR1 (0.64) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL5064105 0.91 CCR1 (0.68) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL5064099 0.91 CCR1 (0.68) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL5064109 0.91 CCR1 (0.68) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL4588748 0.90 CCR1 (0.78) CCR1FPR3GPR65GPR35PTGDR2

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