SCHEMBL8126528

SCHEMBL8126528

COc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.61
DRD3 P35462 1/20 0.58
DRD2 P14416 2/20 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 1.00 SIGMAR1 (0.69) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8118831 0.96 SIGMAR1 (0.75) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8125746 0.90 OPRK1 (0.62) SIGMAR1L3MBTL1
SCHEMBL8126666 0.88 SIGMAR1 (0.67) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8120009 0.86 SIGMAR1 (0.75) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8126235 0.86 SIGMAR1 (0.75) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8127075 0.86 SIGMAR1 (0.75) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8124961 0.85 SIGMAR1 (0.74) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8120171 0.85 SIGMAR1 (0.93) SIGMAR1L3MBTL1DRD3DRD2
SCHEMBL8120491 0.85 SIGMAR1 (0.74) SIGMAR1L3MBTL1DRD3DRD2

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 1 patent. 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 disclosed