SCHEMBL2704077

SCHEMBL2704077

Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)c1ccc(C(N)=O)cc1Cl)C2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 18/20 0.55
OXTR P30559 10/20 0.55
AVPR2 P30518 7/20 0.55
IP6K1 Q92551 1/20 0.41

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
SCHEMBL2704236 0.93 AVPR1A (0.51) AVPR1AOXTRAVPR2
SCHEMBL2702993 0.93 AVPR1A (0.53) AVPR1AOXTRAVPR2
SCHEMBL2705084 0.92 AVPR1A (0.57) AVPR1AOXTRAVPR2IP6K1
SCHEMBL2704800 0.91 AVPR1A (0.48) AVPR1AOXTRAVPR2
SCHEMBL18917289 0.90 AVPR1A (0.68) AVPR1AOXTRAVPR2
SCHEMBL2702940 0.87 AVPR1A (0.58) AVPR1AOXTRAVPR2
SCHEMBL2704080 0.86 AVPR1A (0.55) AVPR1AOXTRAVPR2
SCHEMBL2704138 0.86 AVPR1A (0.50) AVPR1AOXTRAVPR2
SCHEMBL2704570 0.85 AVPR1A (0.53) AVPR1AOXTRAVPR2
SCHEMBL2704711 0.83 AVPR1A (0.55) 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 2 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