SCHEMBL6999908

SCHEMBL6999908

O=C(O)c1cc(Cl)ccc1OCC(=O)N1CC2CCC(C1)N2Cc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.62
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
FPR3 P25089 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
GPR35 Q9HC97 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7000816 0.85 CCR1 (0.47) CCR1LMNATP53PTGDR2FPR3
SCHEMBL7000591 0.84 CCR1 (0.62) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6999302 0.83 CCR1 (0.64) CCR1FPR3GPR65GPR35
SCHEMBL7091273 0.82 CCR1 (0.51) CCR1FPR3GPR65GPR35
SCHEMBL7144980 0.81 CCR1 (0.61) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL7095494 0.79 CCR1 (0.51) CCR1FPR3GPR65GPR35
SCHEMBL4634635 0.77 HSD11B1 (0.55) CCR1LMNAHTT
SCHEMBL4587093 0.77 CCR1 (1.00) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587102 0.77 CCR1 (1.00) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5971999 0.77 CCR1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326867-A2 BRIDGED PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-07-16 EP disclosed
WO-2002032901-A2 BRIDGED PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed