SCHEMBL6024945

SCHEMBL6024945

CNCCc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.77
PTGDR2 Q9Y5Y4 1/20 0.53
FPR3 P25089 1/20 0.53
GPR65 Q8IYL9 1/20 0.53
GPR35 Q9HC97 1/20 0.53

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
SCHEMBL4586566 0.91 CCR1 (0.79) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4586570 0.91 CCR1 (0.79) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4586561 0.91 CCR1 (0.79) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6255070 0.91 CCR1 (0.75) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6248125 0.90 CCR1 (0.80) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6400200 0.90 CCR1 (0.80) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587760 0.90 CCR1 (0.72) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6077257 0.89 CCR1 (0.84) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589534 0.89 CCR1 (0.73) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4588384 0.88 CCR1 (0.83) 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-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO disclosed