SCHEMBL15911697

SCHEMBL15911697

CCCN1CCN(C2CCN(C(=O)NC3(c4cccnc4OCC)C(=O)N(S(=O)(=O)c4ccc(OC)cc4)c4ccc(C#N)cc43)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.46
CYP3A4 P08684 2/20 0.39
GPR6 P46095 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR6 P51684 1/20 0.35

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
SCHEMBL15911698 0.98 AVPR1B (0.46) AVPR1BCYP3A4GPR6ALDH1A1CCR6
SCHEMBL1787086 0.95 AVPR1B (0.47) AVPR1BCYP3A4GPR6ALDH1A1
SCHEMBL1786060 0.95 AVPR1B (0.48) AVPR1BCYP3A4GPR6ALDH1A1
SCHEMBL15911619 0.94 AVPR1B (0.48) AVPR1BCYP3A4GPR6CCR6
SCHEMBL15911642 0.94 AVPR1B (0.41) AVPR1BCYP3A4GPR6
SCHEMBL1786572 0.94 AVPR1B (0.48) AVPR1BCYP3A4GPR6CCR6
SCHEMBL1786044 0.93 AVPR1B (0.47) AVPR1BCYP3A4GPR6ALDH1A1CCR6
SCHEMBL16053377 0.92 AVPR1B (0.47) AVPR1BCYP3A4GPR6ALDH1A1CCR6
SCHEMBL16053379 0.92 AVPR1B (0.47) AVPR1BCYP3A4GPR6ALDH1A1CCR6
SCHEMBL1787061 0.92 AVPR1B (0.48) AVPR1BCYP3A4GPR6ALDH1A1CCR6

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
US-8815868-B2 Substituted oxindole derivatives and their use as vasopressin receptor ligands ABBOTT GMBH & CO. KG (DE) 2014-08-26 US claimed
EP-2114923-B1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2014-08-06 EP claimed
EP-2114923-B1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2014-08-06 EP disclosed