SCHEMBL11077672

SCHEMBL11077672

CCCc1ccc(C2(O)CCC(C3CCC(O)(c4ccc(CCC)cc4)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.52
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
DRD2 P14416 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 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
SCHEMBL3480740 0.89 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1LPL
SCHEMBL11475337 0.85 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1LPL
SCHEMBL11457550 0.85 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1LPL
SCHEMBL11457551 0.85 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1LPL
SCHEMBL18910942 0.84 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1LPL
SCHEMBL8453467 0.83 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1LPL
SCHEMBL9798019 0.83 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1PLK1
SCHEMBL18910938 0.82 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1LPL
SCHEMBL9798026 0.79 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1PLK1
SCHEMBL9810262 0.79 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1PLK1

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-4477369-A New high temperature liquid-crystalline substances consisting of 4 or 5 six-member-rings and liquid-crystalline compositions containing same CHISSO CORPORATION (JP) 1984-10-16 US disclosed