SCHEMBL6580038

SCHEMBL6580038

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.45
AVPR1A P37288 2/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IP6K1 Q92551 1/20 0.38
CPT2 P23786 3/20 0.38
CPT1A P50416 3/20 0.38
CPT1B Q92523 3/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PRKG1 Q13976 1/20 0.36
TTR P02766 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 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
SCHEMBL5432511 0.92 OXTR (0.44) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL6583696 0.90 OXTR (0.45) OXTRAVPR1AMEN1KMT2ACPT2
SCHEMBL6582214 0.90 OXTR (0.53) OXTRAVPR1AMEN1KMT2ACPT2
SCHEMBL5434135 0.86 OXTR (0.38) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL6582507 0.85 MAPT (0.51) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL6582344 0.83 OXTR (0.47) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL6582219 0.82 PTGDR2 (0.49) OXTRAVPR1AIP6K1CPT2CPT1A
SCHEMBL5443524 0.82 OXTR (0.52) OXTRAVPR1AMEN1KMT2ACPT2
SCHEMBL5443542 0.82 OXTR (0.44) OXTRAVPR1AMEN1KMT2AMAPT
SCHEMBL5820190 0.79 OXTR (0.66) 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