SCHEMBL8430263

SCHEMBL8430263

CC(Cc1ccccc1)N(CCO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.50
SLC6A2 P23975 3/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1A P35348 2/20 0.47
OPRK1 P41145 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
TRPA1 O75762 1/20 0.46
MAOB P27338 6/20 0.42
MAOA P21397 5/20 0.42
CYP1A2 P05177 2/20 0.42
ADRA2A P08913 1/20 0.42
SNCA P37840 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL8714206 0.89 SIGMAR1 (0.44) SIGMAR1SLC6A2ADRA2BADRA2CADRA1A
SCHEMBL8718156 0.87 SIGMAR1 (0.42) SIGMAR1SLC6A2ADRA2BADRA2CADRA1A
SCHEMBL8713645 0.86 SIGMAR1 (0.44) SIGMAR1SLC6A2ADRA2BADRA2CADRA1A
SCHEMBL8718245 0.85 PNMT (0.42) SIGMAR1SLC6A2ADRA2BADRA2CADRA1A
SCHEMBL8714022 0.85 SIGMAR1 (0.43) SIGMAR1SLC6A2ADRA2BADRA2CADRA1A
SCHEMBL2772902 0.84 KDM4E (0.44) SIGMAR1SLC6A2SLC6A4TRPA1CYP2D6
SCHEMBL8716261 0.83 TRPA1 (0.47) SIGMAR1SLC6A2ADRA2BADRA2CADRA1A
SCHEMBL8715430 0.82 MEN1 (0.52) SIGMAR1SLC6A2ADRA2BADRA2CADRA1A
SCHEMBL8714026 0.81 MAOB (0.49) SIGMAR1MAOBMAOA
SCHEMBL8713556 0.81 TRPA1 (0.41) SIGMAR1SLC6A2OPRK1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US claimed
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed