SCHEMBL7065461

SCHEMBL7065461

Nc1ccccc1CC(N)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
SCN9A Q15858 3/20 0.38
FDPS P14324 1/20 0.38
ANPEP P15144 1/20 0.36
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL7065456 1.00 EPHX1 (0.41) EPHX1SCN9AFDPSANPEPALOX15
SCHEMBL3391358 0.81 FDPS (0.39) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL15908082 0.80 SLC6A2 (0.38) FDPSANPEPALOX15CYP3A4CASP1
SCHEMBL10693501 0.79 FDPS (0.38) SCN9AFDPSALOX15CYP3A4CASP1
SCHEMBL7513002 0.79 HTR2A (0.50) EPHX1SLC6A4
SCHEMBL16145040 0.79 HSPA5 (0.48) EPHX1SCN9ACYP3A4TSHRTAAR1
SCHEMBL7997555 0.78 DPP4 (0.47) EPHX1SCN9ATRPA1TAAR1MAOA
SCHEMBL22863277 0.78 TAAR1 (0.45) EPHX1SCN9AANPEPALPIPKM
SCHEMBL20749099 0.78 TRPA1 (0.41) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL3128931 0.78 PNMT (0.48) EPHX1CYP3A4SMN1; SMN2PKMTAAR1

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-2004063175-A1 A NOVEL AND AN IMPROVED PROCESS FOR THE PREPARATION OF (S)-4-(4-AMINOBENZYL)-2- OXAZOLIDINONE NATCO PHARMA LIMITED (IN) 2004-07-29 WO disclosed