SCHEMBL8487461

SCHEMBL8487461

CCOC(=O)C1(CNCc2ccc3oc(-c4ccccc4C#N)cc3c2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 3/20 0.40
PRKCQ Q04759 8/20 0.38
PRKCD Q05655 8/20 0.38
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL8482882 0.99 MAOB (0.39) MAOBMAOAPRKCQPRKCDNPC1
SCHEMBL8808908 0.87 MAOB (0.39) MAOBMAOAPRKCQPRKCDMYC
SCHEMBL8806612 0.86 MAOB (0.38) MAOBMAOAPRKCQPRKCDMYC
SCHEMBL8485794 0.84 ABL1 (0.42) NPC1RAB9AMEN1KMT2AMYC
SCHEMBL2311 0.82 ITGB1 (0.43) NPC1RAB9AMEN1KMT2AMYC
SCHEMBL8483018 0.82 KDM4E (0.37) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9079126 0.82 S1PR1 (0.35) PRKCQPRKCDNPC1RAB9AMEN1
SCHEMBL2563 0.81 ITGB1 (0.42) NPC1RAB9AMEN1KMT2AMYC
SCHEMBL8487248 0.81 LTB4R2 (0.34) MAOBMAOAPRKCQPRKCDNPC1
SCHEMBL8484799 0.80 LTB4R2 (0.34) MAOBMAOAPRKCQPRKCDNPC1

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
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed