SCHEMBL10183972

SCHEMBL10183972

O=C1C(N(C(=O)Cc2cccs2)c2ccc(Br)c(Cl)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.36
▸ OPRK1 P41145 4/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ OPRL1 P41146 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CCKBR P32239 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PKM P14618 1/20 0.31

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
SCHEMBL10185925 0.90 MEN1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10184153 0.88 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183731 0.85 USP2 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185950 0.85 SMN1; SMN2 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185945 0.84 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183666 0.84 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185926 0.84 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10184154 0.83 POLB (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185544 0.82 OPRM1 (0.40) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183727 0.80 ALDH1A1 (0.41) OPRM1OPRK1OPRD1POLBOPRL1

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-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
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