SCHEMBL6696465

SCHEMBL6696465

NC(=O)CC1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.60
CCR1 P32246 14/20 0.59
FPR3 P25089 1/20 0.59
GPR65 Q8IYL9 1/20 0.59
GPR35 Q9HC97 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
SCHEMBL6077539 1.00 PTGDR2 (0.60) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077776 0.90 PTGDR2 (0.61) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077291 0.90 CCR1 (0.61) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077296 0.90 CCR1 (0.61) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6078449 0.89 CCR1 (0.56) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6076478 0.86 PTGDR2 (0.76) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL5060610 0.81 CCR1 (0.66) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077904 0.79 CCR1 (0.67) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077372 0.78 CCR1 (0.56) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077065 0.77 CCR1 (0.58) PTGDR2CCR1FPR3GPR65GPR35

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