SCHEMBL8120491

SCHEMBL8120491

COc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)cc(F)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.74
DRD3 P35462 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD2 P14416 4/20 0.56
DRD4 P21917 2/20 0.55

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
SCHEMBL8119958 0.91 SIGMAR1 (0.61) SIGMAR1DRD3L3MBTL1MEN1KMT2A
SCHEMBL8126235 0.89 SIGMAR1 (0.75) SIGMAR1DRD3L3MBTL1DRD2DRD4
SCHEMBL8127075 0.89 SIGMAR1 (0.75) SIGMAR1DRD3L3MBTL1DRD2
SCHEMBL8120009 0.89 SIGMAR1 (0.75) SIGMAR1DRD3L3MBTL1DRD2DRD4
SCHEMBL8120171 0.89 SIGMAR1 (0.93) SIGMAR1DRD3L3MBTL1DRD2DRD4
SCHEMBL8125940 0.89 SIGMAR1 (0.74) SIGMAR1DRD3L3MBTL1DRD2DRD4
SCHEMBL8124961 0.89 SIGMAR1 (0.74) SIGMAR1DRD3L3MBTL1DRD2DRD4
SCHEMBL11890531 0.89 SIGMAR1 (0.74) SIGMAR1DRD3L3MBTL1DRD2DRD4
SCHEMBL8118431 0.87 SIGMAR1 (0.71) SIGMAR1DRD3L3MBTL1DRD2DRD4
SCHEMBL8120299 0.87 SIGMAR1 (0.71) SIGMAR1DRD3L3MBTL1DRD2DRD4

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 claimed