SCHEMBL3716843

SCHEMBL3716843

CCOc1ncccc1C1(NCc2ccc(N3CCN(OC(=O)OC(C)(C)C)CC3)cc2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.64
CYP3A4 P08684 2/20 0.43
OXTR P30559 1/20 0.40
AVPR1A P37288 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
SCHEMBL3709708 0.93 AVPR1B (0.53) AVPR1BCYP3A4OXTRAVPR1A
SCHEMBL1874574 0.90 AVPR1B (0.68) AVPR1BCYP3A4
SCHEMBL1871405 0.90 AVPR1B (0.71) AVPR1BCYP3A4
SCHEMBL1878697 0.89 AVPR1B (0.70) AVPR1BCYP3A4
SCHEMBL1878078 0.89 AVPR1B (0.69) AVPR1BCYP3A4
SCHEMBL1876000 0.86 AVPR1B (0.63) AVPR1BCYP3A4
SCHEMBL1875174 0.84 AVPR1B (0.67) AVPR1BCYP3A4
SCHEMBL17975565 0.84 AVPR1B (0.43) AVPR1BCYP3A4
SCHEMBL1878442 0.83 AVPR1B (0.60) AVPR1BCYP3A4
SCHEMBL3718594 0.83 AVPR1B (0.43) AVPR1BCYP3A4

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-2227463-B1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBVIE DEUTSCHLAND (DE) 2016-08-17 EP disclosed
EP-2227463-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES Abbott GmbH & Co. KG (DE) 2010-09-15 EP disclosed
WO-2009083559-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2009-07-09 WO disclosed