SCHEMBL7810936

SCHEMBL7810936

CCCCOc1ccc2n[c]n(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.44
PDE2A O00408 6/20 0.40
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL7815098 0.94 FGFR1 (0.44) FGFR1PDE2AGPBAR1CYSLTR1LTA4H
SCHEMBL7805179 0.88 FGFR1 (0.50) FGFR1PDE2ACYP19A1CYP3A4CYP2D6
SCHEMBL7814303 0.88 MAPT (0.48) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL7815075 0.87 FGFR1 (0.43) FGFR1PDE2ACYP19A1CYP3A4CYP2D6
SCHEMBL7812089 0.82 FGFR1 (0.50) FGFR1GPBAR1CYSLTR1LTA4H
SCHEMBL7815337 0.79 ALDH1A1 (0.43) PDE2ACYP1A2ALDH1A1MAPK1
SCHEMBL7805459 0.78 NPC1 (0.49) CYP3A4HRH3
SCHEMBL7810877 0.78 FGFR1 (0.49) FGFR1PDE2ACYP19A1CYP3A4CYP2D6
SCHEMBL7814533 0.77 GPBAR1 (0.36) FGFR1PDE2AGPBAR1CYSLTR1
SCHEMBL7805417 0.75 BRD4 (0.47) FGFR1PDE2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed