SCHEMBL3797266

SCHEMBL3797266

CCOc1ncccc1C1(OC(=O)ON2CCC(N3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.46
OXTR P30559 4/20 0.46
AVPR1A P37288 4/20 0.46
AVPR2 P30518 2/20 0.43
GPR65 Q8IYL9 1/20 0.39

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
SCHEMBL3803453 0.92 AVPR1B (0.41) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL3798738 0.92 AVPR1B (0.55) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL3797263 0.91 AVPR1B (0.46) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL3714952 0.89 AVPR1B (0.37) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL3716573 0.89 AVPR1B (0.37) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL3715725 0.88 AVPR1B (0.37) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL12761108 0.87 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL1590658 0.85 AVPR1B (0.46) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL1591735 0.84 AVPR1B (0.54) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL1591303 0.84 AVPR1B (0.46) AVPR1BOXTRAVPR1AAVPR2GPR65

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-2231645-A2 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES Abbott GmbH & Co. KG (DE) 2010-09-29 EP disclosed
WO-2009071689-A2 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed