SCHEMBL6664098

SCHEMBL6664098

C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1CNCC(=O)O

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.80
PTGDR2 Q9Y5Y4 4/20 0.58
FPR3 P25089 1/20 0.51
GPR65 Q8IYL9 1/20 0.51
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL6077066 0.94 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589294 0.92 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589298 0.92 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589300 0.92 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587967 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060159 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587970 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587972 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060162 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060156 0.90 CCR1 (0.74) 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 4 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 claimed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO claimed
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