SCHEMBL6582219

SCHEMBL6582219

COc1cc(Cl)ccc1CN1C(=O)C(Cl)(c2cc(C(=O)O)ccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.49
OXTR P30559 2/20 0.48
AVPR1A P37288 2/20 0.48
CPT2 P23786 4/20 0.47
CPT1A P50416 4/20 0.47
CPT1B Q92523 4/20 0.47
IP6K1 Q92551 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.41
TTR P02766 1/20 0.40
AKR1B1 P15121 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PLA2G4A P47712 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
SCHEMBL5429992 0.92 OXTR (0.48) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL5435083 0.89 OXTR (0.59) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL6584840 0.89 OXTR (0.48) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL6582344 0.86 OXTR (0.47) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL6582507 0.84 MAPT (0.51) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL5436199 0.84 OXTR (0.55) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL3876738 0.84 OXTR (0.66) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL5820186 0.84 OXTR (0.66) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL5820190 0.84 OXTR (0.66) PTGDR2OXTRAVPR1ACPT2CPT1A
SCHEMBL6580038 0.82 OXTR (0.45) PTGDR2OXTRAVPR1ACPT2CPT1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272468-B1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2004-11-17 EP disclosed
EP-1272468-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS Sanofi-Aventis (FR) 2003-01-08 EP disclosed
WO-2001074775-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-10-11 WO disclosed