SCHEMBL27713693

SCHEMBL27713693

Cc1cc(O)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
FPR3 P25089 1/20 0.47
GPR65 Q8IYL9 1/20 0.47
GPR35 Q9HC97 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL5061505 0.93 CCR1 (0.71) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5061508 0.93 CCR1 (0.71) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5061506 0.93 CCR1 (0.71) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5059939 0.91 CCR1 (0.69) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5059936 0.91 CCR1 (0.69) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5059931 0.91 CCR1 (0.69) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587082 0.90 CCR1 (0.79) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587076 0.90 CCR1 (0.79) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587071 0.90 CCR1 (0.79) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5059631 0.89 CCR1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN disclosed