SCHEMBL7734343

SCHEMBL7734343

CCCC1CCC(C2CCC(c3ccccc3)(C3CCCCC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4A O75164 3/20 0.39
KDM4B O94953 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
OPRM1 P35372 4/20 0.35
OPRL1 P41146 2/20 0.35
SLC6A9 P48067 2/20 0.34
OPRK1 P41145 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CYP1A2 P05177 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL7734349 0.90 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL4802446 0.78 CYP1A2 (0.40) SLC6A2SLC6A4SLC6A3OPRM1SLC6A9
SCHEMBL4800616 0.78 CYP1A2 (0.40) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4802440 0.78 CYP1A2 (0.40) SLC6A2SLC6A4SLC6A3OPRM1SLC6A9
SCHEMBL4800619 0.78 CYP1A2 (0.40) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL10910108 0.77 OPRL1 (0.47) OPRM1OPRL1OPRK1
SCHEMBL10910104 0.77 OPRL1 (0.47) OPRM1OPRL1OPRK1
SCHEMBL7215216 0.77 OPRL1 (0.47) OPRM1OPRL1OPRK1
Biphenyl SCHEMBL9493971 0.76 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL10778007 0.75 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3OPRM1OPRK1

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-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed