SCHEMBL7786040

SCHEMBL7786040

OC(CBr)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CYP3A4 P08684 5/20 0.40
CNR2 P34972 2/20 0.39
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
KCNH2 Q12809 4/20 0.36
MC4R P32245 3/20 0.34

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
SCHEMBL15078367 0.80 CES2 (0.46) CES2CES1CYP3A4CNR2OPRM1
SCHEMBL7150641 0.80 ADRA2C (0.50) CES2CES1CYP3A4IDO1TDO2
SCHEMBL1206404 0.80 ADRA2C (0.50) CES2CES1CYP3A4IDO1TDO2
SCHEMBL25159719 0.80 CES2 (0.46) CES2CES1CYP3A4CNR2OPRM1
SCHEMBL30288482 0.80 ADRA2C (0.50) CES2CES1CYP3A4IDO1TDO2
SCHEMBL23489941 0.80 CES2 (0.46) CES2CES1CYP3A4CNR2OPRM1
SCHEMBL17660053 0.80 CES2 (0.46) CES2CES1CYP3A4CNR2OPRM1
SCHEMBL20237842 0.78 PDE2A (0.53) CES2CES1CYP3A4CNR2CYP2D6
Hydrochloric Acid SCHEMBL2323838 0.78 KDM4E (0.52) CES2CES1CYP3A4IDO1TDO2
SCHEMBL7983483 0.78 PDE2A (0.53) CES2CES1CYP3A4CNR2CYP2D6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed
US-5216170-A Promoters of livestock; treatment of obesity BAYER AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
US-5028617-A Heteroarylethanol-pyridylalkylamines for controlling animal growth BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0379928-A2 Aryl- and heteroarylethanol-pyridylalkylamines, process for their preparation and their use as performance stimulators by animals and as anti-adipositas agent BAYER AG (DE) 1990-08-01 EP disclosed