SCHEMBL8118831

SCHEMBL8118831

COc1c(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.75
DRD3 P35462 1/20 0.64
DRD2 P14416 2/20 0.62
CXCR6 O00574 2/20 0.61
OPRK1 P41145 2/20 0.59
HTR3A P46098 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL8117900 0.96 SIGMAR1 (0.69) SIGMAR1DRD3DRD2L3MBTL1
SCHEMBL8126528 0.96 SIGMAR1 (0.69) SIGMAR1DRD3DRD2L3MBTL1
SCHEMBL8125746 0.86 OPRK1 (0.62) SIGMAR1OPRK1L3MBTL1
SCHEMBL8117971 0.86 SIGMAR1 (1.00) SIGMAR1DRD3DRD2
SCHEMBL8126293 0.86 SIGMAR1 (0.80) SIGMAR1DRD3DRD2CXCR6OPRK1
SCHEMBL8126666 0.85 SIGMAR1 (0.67) SIGMAR1DRD3DRD2CXCR6L3MBTL1
SCHEMBL8126235 0.82 SIGMAR1 (0.75) SIGMAR1DRD3DRD2CXCR6L3MBTL1
SCHEMBL8120009 0.82 SIGMAR1 (0.75) SIGMAR1DRD3DRD2L3MBTL1
SCHEMBL8127075 0.82 SIGMAR1 (0.75) SIGMAR1DRD3DRD2CXCR6L3MBTL1
SCHEMBL8124961 0.82 SIGMAR1 (0.74) SIGMAR1DRD3DRD2L3MBTL1

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-0861252-B1 NAPHTHAMIDE DERIVATIVES OF 3 BETA-AMINO AZABICYCLO OCTANE OR NONANE AS NEUROLEPTIC AGENTS PF MEDICAMENT (FR) 2000-02-23 EP claimed
EP-0861252-B1 NAPHTHAMIDE DERIVATIVES OF 3 BETA-AMINO AZABICYCLO OCTANE OR NONANE AS NEUROLEPTIC AGENTS PF MEDICAMENT (FR) 2000-02-23 EP disclosed