SCHEMBL8682108

SCHEMBL8682108

CNC(=O)ON1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
CHRM1 P11229 1/20 0.34
LIPE Q05469 2/20 0.33
ALDH1A1 P00352 4/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8682170 0.98 POLB (0.37) POLBCHRM1LIPE
SCHEMBL8682165 0.98 POLB (0.37) POLBCHRM1LIPE
SCHEMBL13529058 0.88
SCHEMBL15413270 0.79 ALDH1A1 (0.33) POLBLIPEALDH1A1MEN1CYP1A2
SCHEMBL27519967 0.77 MAPT (0.39) POLBLIPEALDH1A1GAA
SCHEMBL6559617 0.77 SMN1; SMN2 (0.42) ALDH1A1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8681202 0.77 EPHX1 (0.47) POLBALDH1A1GAAMEN1CYP3A4
SCHEMBL8762003 0.76 LIPE (0.50) POLBLIPEALDH1A1GAACYP3A4
SCHEMBL8681168 0.74 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL27699290 0.74 MAPT (0.36) LIPE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP disclosed