SCHEMBL5316129

SCHEMBL5316129

Nc1ccnc(N2CCC3(CC2)C[C@H](NC(=O)C2CC2)c2ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.62
KCNH2 Q12809 11/20 0.62
MCHR2 Q969V1 3/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL5316132 1.00 OPRD1 (0.62) OPRD1KCNH2MCHR2DRD2SLC6A4
SCHEMBL5311643 0.95 OPRD1 (0.60) OPRD1KCNH2
SCHEMBL5315115 0.89 OPRD1 (0.67) OPRD1KCNH2MCHR2DRD2SLC6A4
SCHEMBL5314013 0.87 OPRD1 (0.61) OPRD1KCNH2
SCHEMBL5315511 0.87 OPRD1 (0.61) OPRD1KCNH2
SCHEMBL5314016 0.87 OPRD1 (0.61) OPRD1KCNH2
SCHEMBL5311512 0.87 OPRD1 (0.62) OPRD1KCNH2MCHR2DRD2SLC6A4
SCHEMBL5314492 0.87 OPRD1 (0.62) OPRD1KCNH2MCHR2DRD2SLC6A4
SCHEMBL14530635 0.86 OPRD1 (0.61) OPRD1KCNH2MCHR2DRD2SLC6A4
SCHEMBL14529824 0.86 OPRD1 (0.64) OPRD1KCNH2MCHR2DRD2SLC6A4

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