SCHEMBL6582344

SCHEMBL6582344

COc1ccc(CN2C(=O)C(Cl)(c3cc(C(=O)O)ccc3Cl)c3cc(F)ccc32)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.47
AVPR1A P37288 2/20 0.47
TP53 P04637 2/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.41
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5430312 0.92 OXTR (0.46) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL5424527 0.90 OXTR (0.57) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL6585721 0.90 OXTR (0.47) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL6582507 0.89 MAPT (0.51) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL6582219 0.86 PTGDR2 (0.49) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL6580038 0.83 OXTR (0.45) OXTRAVPR1AMAPTSMN1; SMN2PTGDR2
SCHEMBL5436179 0.82 OXTR (0.46) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL5436199 0.81 OXTR (0.55) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL5820190 0.81 OXTR (0.66) OXTRAVPR1ATP53MAPTSMN1; SMN2
SCHEMBL5820186 0.81 OXTR (0.66) OXTRAVPR1ATP53MAPTSMN1; SMN2

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