SCHEMBL5316545

SCHEMBL5316545

Nc1ccnc(N2CCC3(CC2)C[C@H](C(=O)Nc2ccccn2)c2ccccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.68
KCNH2 Q12809 10/20 0.68
PTPN11 Q06124 1/20 0.37

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
SCHEMBL5314036 0.85 OPRD1 (0.70) OPRD1KCNH2
SCHEMBL5316820 0.85 OPRD1 (0.78) OPRD1KCNH2
SCHEMBL14530257 0.85 OPRD1 (0.78) OPRD1KCNH2
SCHEMBL5314801 0.84 OPRD1 (0.62) OPRD1KCNH2
SCHEMBL5318504 0.84 OPRD1 (0.60) OPRD1KCNH2
SCHEMBL14530107 0.83 OPRD1 (0.76) OPRD1KCNH2
SCHEMBL14529821 0.83 OPRD1 (0.70) OPRD1KCNH2
SCHEMBL5313541 0.83 OPRD1 (0.67) OPRD1KCNH2
SCHEMBL5316132 0.81 OPRD1 (0.62) OPRD1KCNH2
SCHEMBL5316129 0.81 OPRD1 (0.62) OPRD1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO claimed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed