SCHEMBL8119845

SCHEMBL8119845

COc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccc(F)cc2)cc(N)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.64
DRD3 P35462 1/20 0.64
DRD2 P14416 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CCR3 P51677 3/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL11890531 0.93 SIGMAR1 (0.74) SIGMAR1DRD3DRD2
SCHEMBL8125940 0.93 SIGMAR1 (0.74) SIGMAR1DRD3DRD2
SCHEMBL8124961 0.93 SIGMAR1 (0.74) SIGMAR1DRD3DRD2
SCHEMBL8118341 0.92 SIGMAR1 (0.65) SIGMAR1DRD3DRD2
SCHEMBL8112728 0.91 OPRK1 (0.56) SIGMAR1DRD3DRD2MEN1KMT2A
SCHEMBL8111456 0.89 SIGMAR1 (0.80) SIGMAR1DRD3DRD2
SCHEMBL8126293 0.89 SIGMAR1 (0.80) SIGMAR1DRD3DRD2
SCHEMBL8112017 0.87 SIGMAR1 (0.61) SIGMAR1DRD3MEN1KMT2ACCR3
SCHEMBL8120491 0.85 SIGMAR1 (0.74) SIGMAR1DRD3DRD2MEN1KMT2A
SCHEMBL8127075 0.82 SIGMAR1 (0.75) SIGMAR1DRD3DRD2

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