SCHEMBL8716690

SCHEMBL8716690

CNc1c(Cl)cc(N(CCO)C(C)Cc2ccccc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
TRPA1 O75762 2/20 0.38
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
SLC18A2 Q05940 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 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
SCHEMBL8430263 0.79 SIGMAR1 (0.50) SIGMAR1TRPA1ADRA2BADRA2CADRA1A
SCHEMBL8714206 0.79 SIGMAR1 (0.44) SIGMAR1TRPA1ADRA2BADRA2CADRA1A
SCHEMBL8713645 0.79 SIGMAR1 (0.44) SIGMAR1TRPA1ADRA2BADRA2CADRA1A
SCHEMBL8718245 0.78 PNMT (0.42) SIGMAR1TRPA1ADRA2BADRA2CADRA1A
SCHEMBL8717109 0.76 SIGMAR1 (0.43) SIGMAR1TRPA1ADRA2BADRA2CADRA1A
SCHEMBL8713821 0.75 ALDH1A1 (0.45) ADRA1AMEN1MAPTKMT2ALMNA
SCHEMBL8714022 0.75 SIGMAR1 (0.43) SIGMAR1TRPA1ADRA2BADRA2CADRA1A
SCHEMBL8714026 0.74 MAOB (0.49) SIGMAR1MEN1KMT2AMAOBMAOA
SCHEMBL8718156 0.74 SIGMAR1 (0.42) SIGMAR1TRPA1ADRA2BADRA2CADRA1A
SCHEMBL8713177 0.73 SIGMAR1 (0.40) SIGMAR1TRPA1ADRA2BADRA2CADRA1A

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