SCHEMBL8037995

SCHEMBL8037995

CCc1oc2c(Br)cccc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP2C19 P33261 5/20 0.35
CYP2C9 P11712 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TTR P02766 2/20 0.35
SLC22A12 Q96S37 2/20 0.35
EYA2 O00167 1/20 0.35
MEN1 O00255 1/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
NR1I2 O75469 1/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL8081887 0.84 LOXL2 (0.39) LOXL2ALDH1A1MEN1HPGDKMT2A
SCHEMBL8507588 0.81 LOXL2 (0.37) LOXL2ALDH1A1MEN1TSHRTBXA2R
SCHEMBL7815658 0.79 CYP3A4 (0.40) CYP2C19CYP2C9ALDH1A1CYP3A4HPGD
SCHEMBL2089679 0.77 LOXL2 (0.40) LOXL2ALDH1A1CYP1A2HPGDMCL1
SCHEMBL8038421 0.77 LOXL2 (0.40) LOXL2CYP2C19ALDH1A1CYP1A2HPGD
SCHEMBL26423718 0.73 GABRA1 (0.52) LOXL2GABRA1GABRB2CYP2C19CYP2C9
SCHEMBL7830992 0.72 ALDH1A1 (0.49) ALDH1A1MEN1MAPTTSHRMAPK1
SCHEMBL1855422 0.72 GPR52 (0.53) MAPTHTR2AHTR2BKMT2AMAOB
SCHEMBL12093432 0.71 LOXL2 (0.47) LOXL2GABRA1GABRB2ALDH1A1MEN1
SCHEMBL29450783 0.71 LOXL2 (0.47) LOXL2GABRA1GABRB2ALDH1A1MEN1

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-6060508-A FOR TREATING URINARY STRESS INCONTINENCE, GASTROINTESTINAL DISORDERS, ULCERS, MIGRAINES SYNTHELABO (FR) 2000-05-09 US disclosed
EP-0923567-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1999-06-23 EP disclosed
WO-1998008834-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1998-03-05 WO disclosed