SCHEMBL15911545

SCHEMBL15911545

CCCN1CCC(C2CCN(C(=O)NC3(c4cccnc4OCC)C(=O)N(S(=O)(=O)c4ccccc4)c4ccc(C#N)cc43)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.43
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
GPR6 P46095 2/20 0.35
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1786933 0.95 AVPR1B (0.44) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4
SCHEMBL1786064 0.94 AVPR1B (0.44) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4
SCHEMBL15911611 0.94 AVPR1B (0.41) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4
SCHEMBL15911642 0.94 AVPR1B (0.41) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4
SCHEMBL15911619 0.94 AVPR1B (0.48) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4
SCHEMBL1785523 0.92 AVPR1B (0.44) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4
SCHEMBL15911688 0.92 AVPR1B (0.47) AVPR1BHCRTR1HCRTR2CYP3A4GAA
SCHEMBL1787797 0.91 AVPR1B (0.43) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4
SCHEMBL15911612 0.91 AVPR1B (0.51) AVPR1BHCRTR1HCRTR2CYP3A4GPR6
SCHEMBL1786579 0.89 AVPR1B (0.43) AVPR1BHCRTR1HCRTR2KMT2ACYP3A4

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