SCHEMBL2576573

SCHEMBL2576573

C[C@@H]1C2Cc3cc(C#N)c(O)cc3C1(C)CCN2C(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.46
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL18408144 1.00 HSD11B1 (0.46) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL1207441 1.00 HSD11B1 (0.46) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL1206012 1.00 HSD11B1 (0.46) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL13753194 1.00 HSD11B1 (0.46) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL1206319 0.85 HSD11B1 (0.48) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL1396472 0.85 SIGMAR1 (0.57) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL18407969 0.85 SIGMAR1 (0.57) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL1207171 0.85 SIGMAR1 (0.57) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL18408054 0.85 HSD11B1 (0.48) HSD11B1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL1207393 0.85 SIGMAR1 (0.57) HSD11B1OPRM1OPRD1OPRK1SIGMAR1

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-2245014-B1 UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP disclosed