SCHEMBL11617618

SCHEMBL11617618

CCCCCC1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.49
OPRM1 P35372 10/20 0.49
OPRK1 P41145 9/20 0.49
OPRD1 P41143 6/20 0.49
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
CHRM4 P08173 1/20 0.39
BDKRB1 P46663 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
SCHEMBL11617614 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL11475502 0.95 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL11475849 0.95 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL11475501 0.95 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL17072238 0.89 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL9013291 0.88 OPRL1 (0.41) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL8452166 0.86 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL8452168 0.86 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL8100549 0.84 OPRM1 (0.41) OPRL1OPRM1OPRK1OPRD1CHRM4
SCHEMBL10906004 0.84 OPRL1 (0.39) OPRL1OPRM1OPRK1OPRD1

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-4130502-A Liquid crystalline cyclohexane derivatives MERCK PATENT GESELLSCHAFT MIT (DE) 1978-12-19 US disclosed