SCHEMBL6662891

SCHEMBL6662891

C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1C(=O)NS(C)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.68
FPR3 P25089 1/20 0.68
GPR65 Q8IYL9 1/20 0.68
GPR35 Q9HC97 1/20 0.68
PTGDR2 Q9Y5Y4 1/20 0.59

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
SCHEMBL6077208 0.89 CCR1 (0.68) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5060368 0.88 CCR1 (0.77) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4589479 0.87 CCR1 (0.73) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5055896 0.87 CCR1 (0.75) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6077711 0.87 CCR1 (0.67) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587427 0.86 CCR1 (0.77) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587121 0.86 CCR1 (0.77) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6076502 0.86 CCR1 (0.64) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6076571 0.85 CCR1 (0.64) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5059604 0.85 CCR1 (0.71) 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-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO disclosed