SCHEMBL9837239

SCHEMBL9837239

NC1c2ccccc2OCc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
MAPK14 Q16539 3/20 0.38
TERT O14746 1/20 0.35
MAOB P27338 4/20 0.33
MAOA P21397 2/20 0.33
MAPT P10636 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX7 Q99572 2/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANPEP P15144 1/20 0.32

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
SCHEMBL9836996 0.82 MAOA (0.48) MAPK14TERTMAOBMAOAMAPT
SCHEMBL9835174 0.81 MAPK14 (0.38) MAPK14TERTMAOBMAOAMAPT
SCHEMBL10702160 0.80 HTR2B (0.40) HTR2AMAPTKDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL9835660 0.79 MAPK14 (0.37) MAPK14TERTMAOBMAOAMAPT
SCHEMBL8797926 0.77 MAPK14 (0.33) MAPK14TERTMAOBMAOAMAPT
SCHEMBL8797476 0.76 MAPT (0.43) MAPK14TERTMAOBMAOAMAPT
SCHEMBL1367244 0.75 HTR2A (0.57) HTR2ATERTMAOBMAOANISCH
SCHEMBL6386269 0.73 HTR2A (0.50) HTR2AP2RX7ANPEP
SCHEMBL11005428 0.72 CYP2D6 (0.43) HTR2ATERTALDH1A1
SCHEMBL10700081 0.72 MAPK14 (0.37) MAPK14MAOBMAOAMAPTKDM4E

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-0129879-B1 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-09-11 EP disclosed
US-4547496-A Antiulcer [1] benzepino[3,4-b]pyridine and compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-10-15 US disclosed
EP-0129879-A2 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-02 EP disclosed