SCHEMBL7664282

SCHEMBL7664282

Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)cc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.44
MAOA P21397 2/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.39
SMPD1 P17405 1/20 0.39
F10 P00742 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL23178724 0.97 MAOB (0.46) MAOBMAOAAR
SCHEMBL84221 0.87 TAAR1 (0.43) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL23178723 0.86 ALDH1A1 (0.47) MAOBMAOAALDH1A1MAPTNPC1
SCHEMBL23178745 0.85 ALDH1A1 (0.39) MAOBMAOAALDH1A1MAPTNPC1
SCHEMBL23178721 0.84 TAAR1 (0.41) MAOBMAOAALDH1A1MAPTNPC1
SCHEMBL23178728 0.84 NPC1 (0.41) MAOBMAOAALDH1A1MAPTNPC1
SCHEMBL24274919 0.84 MAOB (0.43) MAOBMAOAALDH1A1MAPTNPC1
SCHEMBL31323933 0.81 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL23178722 0.81 ALOX5 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8693966 0.81 ALOX5 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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
US-6414000-B1 A 2-OXAZOLINE COMPOUND CONTAINING PHENYL RINGS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed