SCHEMBL19972723

SCHEMBL19972723

Cc1cc(O)cc(C)c1CCC(=O)NC1CCNc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.54
OPRD1 P41143 1/20 0.52
BDKRB1 P46663 1/20 0.44

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
SCHEMBL7683535 0.77 BDKRB1 (0.50) OPRK1OPRD1BDKRB1
SCHEMBL1872257 0.74 BDKRB1 (0.46) OPRK1OPRD1BDKRB1
SCHEMBL6245119 0.73 BDKRB1 (0.45) OPRK1OPRD1BDKRB1
Hydrochloric Acid SCHEMBL1873147 0.73 BDKRB1 (0.45) OPRK1OPRD1BDKRB1
SCHEMBL6579209 0.71 BDKRB1 (0.44) OPRK1OPRD1BDKRB1
SCHEMBL28255232 0.70 BDKRB1 (0.43) OPRK1OPRD1BDKRB1
SCHEMBL19969620 0.70 OPRK1 (0.78) OPRK1OPRD1
SCHEMBL19969486 0.70 OPRK1 (0.78) OPRK1OPRD1
SCHEMBL19969893 0.68 OPRK1 (1.00) OPRK1OPRD1
SCHEMBL19969821 0.68 OPRK1 (0.87) OPRK1OPRD1

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
WO-2018053240-A1 PEPTIDOMIMETICS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-22 WO disclosed