SCHEMBL8713422

SCHEMBL8713422

CN(C)COc1ccc(CC(C)(C[C@H](N)O)c2cccc(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.39
PKM P14618 1/20 0.38
ALOX5 P09917 1/20 0.37
MAOB P27338 6/20 0.36
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 3/20 0.35
GLA P06280 1/20 0.35
KIF11 P52732 2/20 0.35
SLC2A1 P11166 1/20 0.33
CXCR1 P25024 1/20 0.33
MAOA P21397 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
SCHEMBL8716544 0.87 ESR1 (0.40) CASRCXCR1
SCHEMBL8716720 0.85 CASR (0.49) CASRADRB2ADRB3KIF11
SCHEMBL8716326 0.85 PKM (0.49) PKMALOX5MAOBKIF11MAOA
SCHEMBL8717072 0.82 KIF11 (0.40) CASRPKMKIF11
SCHEMBL8716173 0.82 KIF11 (0.40) CASRPKMADRB1KIF11
SCHEMBL8713872 0.82 ESR1 (0.42) CASRPKMKIF11
SCHEMBL8714910 0.80 KIF11 (0.43) MAOBKIF11
SCHEMBL8714279 0.80 KIF11 (0.40) PKMKIF11
SCHEMBL8713335 0.78 TAAR1 (0.44) CASRPKMKIF11
SCHEMBL8713560 0.78 KIF11 (0.42) PKMMAOBKIF11

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed