SCHEMBL2704802

SCHEMBL2704802

Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)c1ccc(CN)cc1F)C2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.47
OXTR P30559 9/20 0.47
AVPR2 P30518 4/20 0.47

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
SCHEMBL2704080 0.91 AVPR1A (0.55) AVPR1AOXTRAVPR2
SCHEMBL2702996 0.90 AVPR1A (0.50) AVPR1AOXTRAVPR2
SCHEMBL2705381 0.90 AVPR1A (0.46) AVPR1AOXTRAVPR2
SCHEMBL5549199 0.89 AVPR1A (0.55) AVPR1AOXTRAVPR2
Hydrochloric Acid SCHEMBL2131142 0.88 AVPR1A (0.55) AVPR1AOXTRAVPR2
Cyclopropane SCHEMBL18917240 0.87 AVPR1A (0.46) AVPR1AOXTRAVPR2
SCHEMBL2704800 0.87 AVPR1A (0.48) AVPR1AOXTRAVPR2
SCHEMBL2131383 0.86 AVPR1A (0.43) AVPR1AOXTRAVPR2
SCHEMBL2705085 0.83 AVPR1A (0.56) AVPR1AOXTRAVPR2
SCHEMBL2704138 0.83 AVPR1A (0.50) AVPR1AOXTRAVPR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP claimed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP claimed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP claimed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO claimed