SCHEMBL4054148

SCHEMBL4054148

O=Cc1sccc1CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.40
DAO P14920 2/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL9536055 0.88 LTB4R (0.52) LTB4R
SCHEMBL12914551 0.76 TP53 (0.30) TP53ALOX15MAPK1KMT2A
SCHEMBL6816923 0.76 PRKCI (0.33) KMT2A
SCHEMBL14560373 0.75 LTB4R (0.40) LTB4RFFAR1ALDH1A1
SCHEMBL7217744 0.74 CA2 (0.46) LTB4R
SCHEMBL7415986 0.73
SCHEMBL14560383 0.73 CA2 (0.35) LTB4R
SCHEMBL6819727 0.73 TYR (0.38) TP53ALOX15MAPK1KMT2AALDH1A1
SCHEMBL2065835 0.72
SCHEMBL18826034 0.71 HIF1A (0.34) LTB4R

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-2057162-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-05-13 EP disclosed
WO-2008005456-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-10 WO disclosed