SCHEMBL15911642

SCHEMBL15911642

CCCN1CCN(C2CCN(C(=O)NC3(c4cccnc4OCC)C(=O)N(S(=O)(=O)c4ccccc4)c4ccc(C#N)cc43)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.41
KMT2A Q03164 1/20 0.35
GPR6 P46095 5/20 0.35
CYP3A4 P08684 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 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
SCHEMBL15911611 0.98 AVPR1B (0.41) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL1785632 0.95 AVPR1B (0.42) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL1786579 0.94 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL15911697 0.94 AVPR1B (0.46) AVPR1BGPR6CYP3A4
SCHEMBL15911545 0.94 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL1786116 0.93 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL1784956 0.93 AVPR1B (0.42) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL15911661 0.92 AVPR1B (0.46) AVPR1BGPR6CYP3A4HCRTR1HCRTR2
SCHEMBL16053556 0.92 AVPR1B (0.42) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL1785366 0.92 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4HCRTR1

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-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