SCHEMBL10183616

SCHEMBL10183616

O=C1C(N(C(=O)CNCc2ccccc2)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CCKAR P32238 2/20 0.34
▸ CCKBR P32239 2/20 0.34
▸ IDH1 O75874 1/20 0.33

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
SCHEMBL10183289 0.91 KMT2A (0.43) OPRM1MEN1KMT2A
SCHEMBL10184071 0.88 OPRM1 (0.37) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183782 0.88 OPRM1 (0.40) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183654 0.87 IDH1 (0.38) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183740 0.86 CYP3A4 (0.40) OPRM1OPRK1OPRL1MEN1KMT2A
SCHEMBL10184164 0.86 ACKR3 (0.35) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183299 0.86 OPRM1 (0.40) OPRM1OPRK1OPRL1AGTR2LMNA
SCHEMBL10183669 0.85 CCKBR (0.41) OPRM1OPRK1OPRL1MEN1KMT2A
SCHEMBL10185582 0.85 TSHR (0.39) OPRM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL10183337 0.85 OPRM1 (0.39) OPRM1OPRK1OPRL1MEN1KMT2A

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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