SCHEMBL7008710

SCHEMBL7008710

CCC(CC)Sc1nc2cc(N3CCN[C@H](C)C3)c(Cl)cc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 20/20 0.77
OPRM1 P35372 7/20 0.66
OPRK1 P41145 7/20 0.66
KCNH2 Q12809 2/20 0.48
OPRD1 P41143 2/20 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
SCHEMBL7007146 1.00 OPRL1 (0.77) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494335 0.99 OPRL1 (0.76) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494951 0.99 OPRL1 (0.76) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL7008700 0.96 OPRL1 (0.70) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL7007142 0.96 OPRL1 (0.70) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494946 0.95 OPRL1 (0.69) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494329 0.95 OPRL1 (0.69) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL7010486 0.88 OPRL1 (0.69) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6531308 0.87 OPRL1 (0.73) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494405 0.86 OPRL1 (0.98) OPRL1OPRM1OPRK1

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
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed