SCHEMBL4444801

SCHEMBL4444801

O=C(O)c1cc2[nH]c(=O)n(C3CCN(CC(=O)N4CC5CCCC5C4)CC3)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.42
HSD11B1 P28845 1/20 0.41
PLD2 O14939 10/20 0.40
PLD1 Q13393 10/20 0.40
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL4440298 0.92 OPRM1 (0.41) OPRM1HSD11B1PLD2PLD1PGR
SCHEMBL4437945 0.92 OPRM1 (0.42) OPRM1HSD11B1PLD2PLD1PGR
SCHEMBL5000823 0.89 PLD2 (0.42) OPRM1HSD11B1PLD2PLD1KCNH2
SCHEMBL4440308 0.89 ADRB2 (0.43) OPRM1HSD11B1PLD2PLD1CHRM2
SCHEMBL4435839 0.89 PLD2 (0.42) OPRM1HSD11B1PLD2PLD1KCNH2
SCHEMBL5006625 0.88 PLD2 (0.42) OPRM1HSD11B1PLD2PLD1KCNH2
SCHEMBL4446718 0.86 OPRM1 (0.42) OPRM1HSD11B1PLD2PLD1CHRM2
SCHEMBL4439024 0.85 OPRM1 (0.41) OPRM1HSD11B1PLD2PLD1PGR
SCHEMBL4440328 0.83 OPRM1 (0.41) OPRM1HSD11B1PLD2PLD1PGR
SCHEMBL4435268 0.80 PLD2 (0.43) OPRM1HSD11B1PLD2PLD1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP claimed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO claimed