SCHEMBL6584840

SCHEMBL6584840

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.48
AVPR1A P37288 2/20 0.48
CPT2 P23786 3/20 0.47
CPT1A P50416 3/20 0.47
CPT1B Q92523 3/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.47
SCN9A Q15858 3/20 0.46
TP53 P04637 6/20 0.44
MAPT P10636 6/20 0.44
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TTR P02766 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
SCHEMBL5436199 0.95 OXTR (0.55) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL5438791 0.92 OXTR (0.48) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL5435083 0.89 OXTR (0.59) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL6582219 0.89 PTGDR2 (0.49) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL5425200 0.87 OXTR (0.54) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL6585721 0.86 OXTR (0.47) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL6581724 0.84 MAPT (0.51) OXTRAVPR1ASCN9ATP53MAPT
SCHEMBL5429922 0.84 OXTR (0.66) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL5820186 0.84 OXTR (0.66) OXTRAVPR1ACPT2CPT1ACPT1B
SCHEMBL3876738 0.84 OXTR (0.66) OXTRAVPR1ACPT2CPT1ACPT1B

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 1 patent. 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