SCHEMBL6581724

SCHEMBL6581724

COc1ccc(CN2C(=O)C(O)(c3cc(C(=O)O)ccc3Cl)c3ccccc32)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SCN9A Q15858 7/20 0.51
OXTR P30559 2/20 0.50
AVPR1A P37288 2/20 0.50
TP53 P04637 4/20 0.47
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5423791 0.92 MAPT (0.51) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL5436199 0.90 OXTR (0.55) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL5433052 0.89 OXTR (0.57) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL6582507 0.89 MAPT (0.51) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL6585721 0.89 OXTR (0.47) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL6583696 0.85 OXTR (0.45) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL6584840 0.84 OXTR (0.48) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL5425200 0.82 OXTR (0.54) MAPTSMN1; SMN2SCN9AOXTRAVPR1A
SCHEMBL5820186 0.81 OXTR (0.66) MAPTSMN1; SMN2OXTRAVPR1ATP53
SCHEMBL5423810 0.81 MAPT (0.51) MAPTSMN1; SMN2SCN9AOXTRAVPR1A

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