SCHEMBL8624930

SCHEMBL8624930

OC[C@H](NCc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
MC5R P33032 3/20 0.44
MC4R P32245 2/20 0.44
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
IDO1 P14902 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 1/20 0.43
MC3R P41968 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAN2A1 Q16706 1/20 0.40
MAN1B1 Q9UKM7 1/20 0.40
TRPV3 Q8NET8 1/20 0.40

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
SCHEMBL424037 0.81 SMN1; SMN2 (0.61) ADRB2IDO1SMN1; SMN2MAN2A1MAN1B1
SCHEMBL4853220 0.81 SMN1; SMN2 (0.61) ADRB2IDO1SMN1; SMN2MAN2A1MAN1B1
SCHEMBL1848481 0.81 SMN1; SMN2 (0.61) ADRB2IDO1SMN1; SMN2MAN2A1MAN1B1
SCHEMBL14099902 0.80 MC5R (0.49) MC5RMC4RSLC6A4IDO1GABRB1
SCHEMBL4664285 0.79 KDM1A (0.47) ADRB2SMN1; SMN2CYP1A2TRPV3
SCHEMBL23741366 0.78 MC5R (0.50) MC5RMC4RCYP2D6SLC6A2SLC6A4
SCHEMBL3678776 0.78 SMN1; SMN2 (0.61) MC5RMC4RSMN1; SMN2CYP1A2CYP2A6
SCHEMBL3678774 0.78 SMN1; SMN2 (0.61) MC5RMC4RSMN1; SMN2CYP1A2CYP2A6
SCHEMBL12493466 0.77 TDP1 (0.58) ADRB2
SCHEMBL22445577 0.77 TDP1 (0.58) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852221-A Optically active β-aminoalkoxyborane complex NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-12-22 US disclosed
US-5808098-A REDUCING AGENT FROM AMINOALCOHOL NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-09-15 US disclosed
EP-0680484-B1 OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEXES NISSAN CHEMICAL IND LTD (JP) 1998-08-19 EP disclosed
US-5786485-A REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5767277-A REDUCING AGENT FOR A CARBONYL COMPOUND TO PRODUCE A 1,3-SYN-DIOL COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-06-16 US disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 US disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 US disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 WO disclosed