SCHEMBL5313541

SCHEMBL5313541

Nc1ccnc(N2CCC3(CC2)C[C@H](C(=O)NCc2ccccc2)c2ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.67
KCNH2 Q12809 10/20 0.67
CHRM4 P08173 1/20 0.37
HSD11B1 P28845 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL14529821 0.88 OPRD1 (0.70) OPRD1KCNH2CHRM4HSD11B1
SCHEMBL14530257 0.86 OPRD1 (0.78) OPRD1KCNH2HSD11B1
SCHEMBL5314036 0.84 OPRD1 (0.70) OPRD1KCNH2HSD11B1
SCHEMBL5316820 0.84 OPRD1 (0.78) OPRD1KCNH2HSD11B1
SCHEMBL5316545 0.83 OPRD1 (0.68) OPRD1KCNH2
SCHEMBL14530107 0.82 OPRD1 (0.76) OPRD1KCNH2HSD11B1
SCHEMBL5313435 0.81 OPRD1 (0.83) OPRD1KCNH2HSD11B1
SCHEMBL5312960 0.81 OPRD1 (1.00) OPRD1KCNH2HSD11B1
SCHEMBL5315770 0.81 OPRD1 (0.73) OPRD1KCNH2HSD11B1
SCHEMBL5315773 0.81 OPRD1 (0.73) OPRD1KCNH2HSD11B1

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
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