SCHEMBL7799084

SCHEMBL7799084

O=C(O)Cc1cccc2sc(C3CCCCC3N3CCOCC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.40
OPRK1 P41145 6/20 0.40
KCNA5 P22460 1/20 0.37
SCN5A Q14524 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RIPK1 Q13546 3/20 0.35
HTR7 P34969 1/20 0.35

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
Hydrochloric Acid SCHEMBL7798767 0.99 OPRM1 (0.42) OPRM1OPRK1KCNA5SCN5ASIGMAR1
SCHEMBL7800794 0.78 HTR7 (0.39) OPRM1OPRK1KCNA5SCN5ASIGMAR1
SCHEMBL7800790 0.78 HTR7 (0.39) OPRM1OPRK1KCNA5SCN5ASIGMAR1
SCHEMBL7799090 0.78 OPRM1 (0.40) OPRM1OPRK1KCNA5SCN5ASIGMAR1
Hydrochloric Acid SCHEMBL7803047 0.77 OPRM1 (0.38) OPRM1OPRK1KCNA5SCN5ASIGMAR1
Hydrochloric Acid SCHEMBL7803045 0.77 OPRM1 (0.38) OPRM1OPRK1KCNA5SCN5ASIGMAR1
SCHEMBL7799100 0.77 KCNA5 (0.41) KCNA5SCN5ASIGMAR1
Hydrochloric Acid SCHEMBL7798770 0.77 OPRM1 (0.41) OPRM1OPRK1KCNA5SCN5AHTR7
Hydrochloric Acid SCHEMBL7803104 0.76 KCNA5 (0.40) KCNA5SCN5ASIGMAR1
SCHEMBL8989835 0.76 UTS2R (0.47) OPRM1OPRK1HTR7

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-0720605-B1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2001-12-19 EP claimed