SCHEMBL13147671

SCHEMBL13147671

CO/N=C(/CCS)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
DRD4 P21917 10/20 0.46
DRD2 P14416 6/20 0.46
GSK3B P49841 1/20 0.45
LMNA P02545 1/20 0.42
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TRPA1 O75762 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL18601776 0.81 HTR7 (0.53) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL6814945 0.81 HTR7 (0.53) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL6811236 0.80 TRPA1 (0.49) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL318549 0.80 SLC6A4 (0.51) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL10248696 0.80 SLC6A4 (0.51) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL318891 0.80 SLC6A4 (0.51) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL10252245 0.80 SLC6A4 (0.51) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL4467283 0.79 GSK3B (0.71) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL4467279 0.79 GSK3B (0.71) SLC6A4DRD4DRD2GSK3BLMNA
SCHEMBL4807901 0.75 PPARG (0.44) SLC6A4DRD4DRD2GSK3BLMNA

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-2010113182-A1 INTERMEDIATES IN THE PREPARATION OF 1,4-DIPHENYL AZETIDINONE LUPIN LIMITED (IN) 2010-10-07 WO disclosed