SCHEMBL4435819

SCHEMBL4435819

O=C(O)c1cc2c(cc1F)N(C1CCN(CC(=O)N3CC4CCCC4C3)CC1)C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.36
OPRL1 P41146 9/20 0.36
OPRK1 P41145 8/20 0.36
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
PLD1 Q13393 1/20 0.35
SCN9A Q15858 3/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KCNH2 Q12809 3/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
CHRM4 P08173 2/20 0.32
DDR1 Q08345 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
SCHEMBL5004185 0.89 PLD1 (0.38) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL4435630 0.89 PLD1 (0.36) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL4444437 0.89 PLD1 (0.38) OPRM1OPRL1OPRK1HTR2AHTR7
Hydrochloric Acid SCHEMBL4436906 0.88 PLD1 (0.38) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL4439004 0.87 PLD1 (0.38) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL4440120 0.83 OPRM1 (0.42) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL4444801 0.77 OPRM1 (0.42) OPRM1PLD1KCNH2CHRM4
SCHEMBL5000730 0.77 CHRM4 (0.39) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL5000753 0.76 OPRL1 (0.45) OPRM1OPRL1OPRK1PLD1KCNH2
SCHEMBL14146291 0.76 PLD1 (0.39) OPRM1OPRL1OPRK1HTR2AHTR7

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