SCHEMBL5820186

SCHEMBL5820186

COc1ccc(CN2C(=O)[C@@](C)(c3cc(C(=O)O)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.66
AVPR1A P37288 2/20 0.66
CPT1A P50416 6/20 0.46
CPT1B Q92523 6/20 0.46
CPT2 P23786 4/20 0.46
PTGDR2 Q9Y5Y4 7/20 0.46
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5820190 1.00 OXTR (0.66) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL3876738 1.00 OXTR (0.66) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5435083 0.95 OXTR (0.59) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5434126 0.92 OXTR (0.65) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5819517 0.92 OXTR (0.65) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5424527 0.91 OXTR (0.57) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5440497 0.91 OXTR (0.70) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5433052 0.90 OXTR (0.57) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5436199 0.90 OXTR (0.55) OXTRAVPR1ACPT1ACPT1BCPT2
SCHEMBL5427651 0.89 OXTR (0.79) OXTRAVPR1ACPT1ACPT1BCPT2

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-2006082454-A1 PROCESS FOR THE PREPARATION OF RACEMIC AND OPTICALLY ACTIVE 4-CHLORO-3-[5-CHLORO-1-(2,4-DIMETHOXYBENZYL)-3-ALKYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL]BENZOIC ACID DERIVATIVES USING A PHASE TRANSFER CATALYST SANOFI-AVENTIS (FR) 2006-08-10 WO disclosed