SCHEMBL6583696

SCHEMBL6583696

COc1ccc(CN2C(=O)C(O)(c3cc(C(=O)O)ccc3Cl)c3cc(Cl)cc(Cl)c32)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.45
AVPR1A P37288 2/20 0.45
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CPT2 P23786 3/20 0.37
CPT1A P50416 3/20 0.37
CPT1B Q92523 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
PRKG1 Q13976 1/20 0.36
TTR P02766 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PLA2G4A P47712 1/20 0.35

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
SCHEMBL5443542 0.92 OXTR (0.44) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL6580038 0.90 OXTR (0.45) OXTRAVPR1AMEN1KMT2ACPT2
SCHEMBL6582214 0.90 OXTR (0.53) OXTRAVPR1AMEN1KMT2ACPT2
SCHEMBL5436199 0.88 OXTR (0.55) OXTRAVPR1AMEN1KMT2ACPT2
SCHEMBL5424565 0.88 OXTR (0.39) OXTRAVPR1AMEN1KMT2AALDH1A1
SCHEMBL6581724 0.85 MAPT (0.51) OXTRAVPR1AKMT2AMAPTSMN1; SMN2
SCHEMBL6585721 0.83 OXTR (0.47) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL6584840 0.82 OXTR (0.48) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL5432511 0.82 OXTR (0.44) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL5443524 0.82 OXTR (0.52) OXTRAVPR1AMEN1KMT2ACPT2

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