SCHEMBL21340752

SCHEMBL21340752

Nc1ccc(OCc2cccc(F)c2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.58
MRGPRX4 Q96LA9 6/20 0.58
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL656838 0.85 MRGPRX4 (0.50) MAOBMRGPRX4MAPT
SCHEMBL3321494 0.82 MAOB (0.65) MAOBMRGPRX4IDO1AGXTCYP1A2
SCHEMBL156718 0.80 MAOB (0.61) MAOBMRGPRX4IDO1AGXT
SCHEMBL143579 0.80 MAOB (0.61) MAOBIDO1AGXTCYP1A2CYP3A4
SCHEMBL29388015 0.80 MAOB (0.61) MAOBMRGPRX4IDO1AGXT
SCHEMBL1406384 0.80 MAOB (0.61) MAOBMRGPRX4IDO1AGXTCYP1A2
SCHEMBL29514868 0.80 MAOB (0.61) MAOBMRGPRX4IDO1AGXT
SCHEMBL1406548 0.79 MAOB (0.60) MAOBMRGPRX4IDO1AGXTMAPT
Hydrochloric Acid SCHEMBL216004 0.79 MAOB (0.62) MAOBMRGPRX4IDO1AGXT
SCHEMBL30354958 0.78 MAOB (0.60) MAOBMRGPRX4IDO1

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-3760633-B1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2021-12-15 EP disclosed
EP-3760633-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-01-06 EP disclosed
WO-2019170088-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed