SCHEMBL9768588

SCHEMBL9768588

CN(CCc1ccccc1)C1(N(C)CCc2ccccc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
AOC3 Q16853 3/20 0.48
SIGMAR1 Q99720 5/20 0.45
SLC18A3 Q16572 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 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
SCHEMBL11348690 0.76 OPRM1 (0.53) AOC3SLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL22863888 0.69 TAAR1 (1.00) TAAR1AOC3SIGMAR1
SCHEMBL168948 0.69 TAAR1 (1.00) TAAR1AOC3SIGMAR1
Demelverine SCHEMBL1516521 0.69 SIGMAR1 (0.76) TAAR1AOC3SIGMAR1SLC6A2SLC6A4
SCHEMBL9278699 0.69 OPRM1 (0.53) AOC3SLC18A3SLC6A2SLC6A4SLC6A3
Cyclooctane SCHEMBL18187569 0.68 SIGMAR1 (0.58) TAAR1SIGMAR1SLC6A3
SCHEMBL21130686 0.68 ACHE (0.53) SIGMAR1SLC6A3OPRM1
SCHEMBL18114513 0.68 OPRM1 (0.42) SIGMAR1SLC6A3OPRM1
SCHEMBL2464748 0.68 OPRM1 (0.64) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL2839407 0.68 SLC18A3 (0.62) TAAR1SIGMAR1SLC18A3OPRM1OPRD1

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-5021187-A In aqueous solutions iwth peroxy compounds; antisoilants; hydrophobic stains LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-06-04 US disclosed