SCHEMBL7007142

SCHEMBL7007142

CCC(CC)Sc1nc2cc(Cl)c(N3CCNC(C)C3)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.70
OPRM1 P35372 6/20 0.60
OPRK1 P41145 6/20 0.60
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL7008700 1.00 OPRL1 (0.70) OPRL1OPRM1OPRK1KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL6494329 0.99 OPRL1 (0.69) OPRL1OPRM1OPRK1KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL6494946 0.99 OPRL1 (0.69) OPRL1OPRM1OPRK1KCNH2ALDH1A1
SCHEMBL7008710 0.96 OPRL1 (0.77) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL7007146 0.96 OPRL1 (0.77) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494951 0.95 OPRL1 (0.76) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494335 0.95 OPRL1 (0.76) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6494827 0.88 OPRL1 (0.62) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6531302 0.87 OPRL1 (0.67) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6494958 0.87 OPRL1 (0.91) 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