SCHEMBL435694

SCHEMBL435694

CC(C)N(C(=O)C1(C)CCNCC1)c1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.35
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL436179 0.87 GRIA2 (0.35) GHSROPRM1OPRD1OPRK1
SCHEMBL435891 0.80 FAAH (0.36) OPRM1OPRD1OPRK1
SCHEMBL436428 0.79 RAF1 (0.32) GHSRCA1CA2ACHE
SCHEMBL346598 0.78 KHK (0.40) GHSR
SCHEMBL436765 0.78 ALDH1A1 (0.39)
SCHEMBL436429 0.76 GHSR (0.35) GHSROPRM1OPRD1OPRK1CA1
SCHEMBL346900 0.74 GHSR (0.46) GHSRCA1CA2ACHE
SCHEMBL436766 0.74 NR1H2 (0.39) OPRM1OPRD1OPRK1
SCHEMBL435693 0.74 SSTR4 (0.33) GHSR
SCHEMBL345716 0.74 KHK (0.40) GHSR

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
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed