SCHEMBL16672252

SCHEMBL16672252

CCOc1ncccc1C1C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.54
AVPR1A P37288 6/20 0.48
OXTR P30559 5/20 0.48
AVPR2 P30518 3/20 0.48
GPR65 Q8IYL9 1/20 0.38

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
SCHEMBL16672282 0.91 AVPR1B (0.44) AVPR1BAVPR1AOXTRAVPR2
SCHEMBL15641578 0.85 AVPR1B (0.53) AVPR1B
SCHEMBL16672232 0.82 KMT2A (0.41) AVPR1B
SCHEMBL16672251 0.79 AVPR1B (0.50) AVPR1BAVPR1AOXTRAVPR2
SCHEMBL1590457 0.79 AVPR1B (0.61) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5423877 0.75 AVPR1B (0.44) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL1465221 0.75 AVPR1B (0.69) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL6614497 0.74 TSHR (0.40) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL16672308 0.74 AVPR1B (0.57) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5578368 0.73 AVPR1B (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023854-B2 5-halogen-substituted oxindole derivatives and use thereof for treating vasopressin-dependent diseases AbbVie Deutschland GmbH & Co. KG (DE) 2015-05-05 US disclosed