SCHEMBL6676897

SCHEMBL6676897

C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1NC(=O)NS(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.76
FPR3 P25089 1/20 0.60
GPR65 Q8IYL9 1/20 0.60
GPR35 Q9HC97 1/20 0.60

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
SCHEMBL4588020 0.90 CCR1 (0.73) CCR1FPR3GPR65GPR35
SCHEMBL4588014 0.90 CCR1 (0.73) CCR1FPR3GPR65GPR35
SCHEMBL4588013 0.90 CCR1 (0.73) CCR1FPR3GPR65GPR35
SCHEMBL4587244 0.89 CCR1 (0.78) CCR1FPR3GPR65GPR35
SCHEMBL4587240 0.89 CCR1 (0.78) CCR1FPR3GPR65GPR35
SCHEMBL5061477 0.89 CCR1 (0.84) CCR1FPR3GPR65GPR35
SCHEMBL4587249 0.89 CCR1 (0.78) CCR1FPR3GPR65GPR35
SCHEMBL5061480 0.89 CCR1 (0.84) CCR1FPR3GPR65GPR35
SCHEMBL5061482 0.89 CCR1 (0.84) CCR1FPR3GPR65GPR35
SCHEMBL4588312 0.88 CCR1 (0.78) CCR1FPR3GPR65GPR35

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