SCHEMBL11348690

SCHEMBL11348690

CN(C)C1(N(C)Cc2ccccc2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
OPRL1 P41146 4/20 0.53
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
AOC3 Q16853 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
SLC18A3 Q16572 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9278699 0.81 OPRM1 (0.53) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL10708855 0.80 OPRM1 (0.51) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL27875481 0.77 OPRM1 (0.49) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL9768588 0.76 TAAR1 (0.52) OPRM1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL3241413 0.75 OPRM1 (0.50) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL24434663 0.75 OPRM1 (0.58) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL24434872 0.70 OPRM1 (0.53) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL3915316 0.70 OPRM1 (0.45) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL2464748 0.69 OPRM1 (0.64) OPRM1OPRL1ALDH1A1TSHRSLC6A2
SCHEMBL3409019 0.69 OPRL1 (1.00) OPRM1OPRL1OPRK1

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-4268455-A Chelating tertiary amino metal amides EXXON RESEARCH & ENGINEERING CO. (US) 1981-05-19 US disclosed