SCHEMBL4434714

SCHEMBL4434714

O=C(O)c1cc2[nH]c(=O)n(C3CCN(CC(=O)C4(c5ccc(Cl)cc5)CCC4)CC3)c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.47
DRD2 P14416 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
PLD1 Q13393 10/20 0.45
PLD2 O14939 9/20 0.45
CHRM1 P11229 1/20 0.42

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
SCHEMBL5000658 0.91 PLD1 (0.47) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4438708 0.87 PLD1 (0.48) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4440071 0.79 YEATS4 (0.62) OPRM1DRD2HTR1AADRA2AHTR2A
Hydrochloric Acid SCHEMBL4443261 0.78 YEATS4 (0.61) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4446718 0.77 OPRM1 (0.42) OPRM1PLD1PLD2CHRM1
SCHEMBL4444801 0.75 OPRM1 (0.42) OPRM1DRD2PLD1PLD2CHRM1
SCHEMBL5000726 0.74 PLD2 (0.53) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4439022 0.74 PLD2 (0.55) OPRM1DRD2HTR1AADRA2AHTR2A
Hydrochloric Acid SCHEMBL4437585 0.73 PLD2 (0.53) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL5000791 0.73 OPRM1 (0.52) OPRM1DRD2HTR1AADRA2AHTR2A

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