SCHEMBL8718245

SCHEMBL8718245

CC(Cc1ccccc1)N(CCO)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
MAOB P27338 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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 0.85 SIGMAR1 (0.50) TAAR1MAOBSIGMAR1TSHRSLC6A2
SCHEMBL8718156 0.85 SIGMAR1 (0.42) TAAR1SIGMAR1SLC6A2SLC6A4ADRA2B
SCHEMBL8714206 0.85 SIGMAR1 (0.44) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL8714022 0.81 SIGMAR1 (0.43) MAOBSIGMAR1TSHRRECQLSLC6A2
SCHEMBL8715430 0.81 MEN1 (0.52) SIGMAR1TSHRSLC6A2SLC6A4ADRA2B
SCHEMBL8713645 0.79 SIGMAR1 (0.44) MAOBSIGMAR1TSHRSLC6A2SLC6A4
SCHEMBL8716690 0.78 SIGMAR1 (0.39) TAAR1MAOBPSEN1PSEN2APH1B
SCHEMBL8714181 0.76 SIGMAR1 (0.40) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL8716243 0.76 ACHE (0.46) SIGMAR1TSHRSLC6A2SLC6A4ADRA2B
SCHEMBL8717109 0.76 SIGMAR1 (0.43) TAAR1MAOBPSEN1PSEN2APH1B

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