SCHEMBL7408252

SCHEMBL7408252

CCOc1ccccc1C1(N2CC(O)CC2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.90
AVPR1A P37288 11/20 0.90
OXTR P30559 11/20 0.90
AVPR2 P30518 3/20 0.90
GPR65 Q8IYL9 1/20 0.90

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
SCHEMBL5351285 1.00 AVPR1B (0.90) AVPR1BAVPR1AOXTRAVPR2GPR65
Nelivaptan SCHEMBL29380118 0.95 AVPR1B (1.00) AVPR1BAVPR1AOXTRAVPR2GPR65
Nelivaptan SCHEMBL5349223 0.95 AVPR1B (1.00) AVPR1BAVPR1AOXTRAVPR2GPR65
Nelivaptan SCHEMBL14517029 0.95 AVPR1B (1.00) AVPR1BAVPR1AOXTRAVPR2GPR65
Nelivaptan SCHEMBL2798065 0.95 AVPR1B (1.00) AVPR1BAVPR1AOXTRAVPR2GPR65
Nelivaptan SCHEMBL4307280 0.95 AVPR1B (1.00) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL2498934 0.94 AVPR1B (0.79) AVPR1BAVPR1AOXTRAVPR2GPR65
Nelivaptan SCHEMBL31317579 0.92 AVPR1B (0.95) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5351446 0.91 AVPR1B (0.91) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5347025 0.91 AVPR1B (0.90) AVPR1BAVPR1AOXTRAVPR2GPR65

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255751-A2 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2002-11-13 EP disclosed
WO-2001055130-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2001-08-02 WO disclosed