SCHEMBL10184071

SCHEMBL10184071

O=CNCC(=O)N(c1cccc(F)c1)C1C(=O)N(C2CCCCC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ OPRL1 P41146 2/20 0.37
▸ AGTR2 P50052 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CCKBR P32239 4/20 0.34
▸ CCKAR P32238 2/20 0.34
▸ IDH1 O75874 4/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL10183782 0.89 OPRM1 (0.40) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183654 0.89 IDH1 (0.38) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183616 0.88 OPRM1 (0.36) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10185977 0.88 OPRM1 (0.39) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183299 0.87 OPRM1 (0.40) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183669 0.87 CCKBR (0.41) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183337 0.86 OPRM1 (0.39) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183319 0.86 MEN1 (0.43) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183927 0.86 OPRM1 (0.36) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10184026 0.85 OPRM1 (0.39) OPRM1OPRK1OPRL1AGTR2LMNA

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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