SCHEMBL11490756

SCHEMBL11490756

CC(=O)C1(c2ccccc2Sc2ccccc2)CCN(CC2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.47
OPRM1 P35372 7/20 0.47
OPRK1 P41145 6/20 0.47
OPRD1 P41143 1/20 0.46
SIGMAR1 Q99720 4/20 0.46

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
SCHEMBL11487147 0.95 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1SIGMAR1
Oxalic Acid SCHEMBL11486149 0.93 SMN1; SMN2 (0.42) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL11476409 0.84 SLC18A3 (0.41) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL11481965 0.83 OPRM1 (0.48) OPRM1OPRK1OPRD1
Oxalic Acid SCHEMBL11490183 0.82 KDM4E (0.40) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL11487769 0.81 OPRM1 (0.51) OPRM1OPRK1OPRD1
Bromide SCHEMBL11474247 0.81 OPRM1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL11483187 0.79 SMN1; SMN2 (0.46) OPRM1OPRK1OPRD1
SCHEMBL11478230 0.79 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1SIGMAR1
Oxalic Acid SCHEMBL11487121 0.77 KDM4E (0.50) OPRM1OPRK1OPRD1

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-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed