SCHEMBL18917229

SCHEMBL18917229

Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(CNC(=O)OC3CCN(CC4CC4)CC3)cc1F)C2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.45
OXTR P30559 10/20 0.45
AVPR2 P30518 3/20 0.44

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
SCHEMBL18917287 0.93 AVPR1A (0.52) AVPR1AOXTRAVPR2
SCHEMBL18917238 0.92 AVPR1A (0.39) AVPR1AOXTRAVPR2
SCHEMBL18917227 0.92 AVPR1A (0.52) AVPR1AOXTRAVPR2
SCHEMBL18917284 0.92 AVPR1A (0.38) AVPR1AOXTRAVPR2
SCHEMBL18917223 0.91 AVPR1A (0.45) AVPR1AOXTRAVPR2
SCHEMBL2131944 0.90 AVPR1A (0.47) AVPR1AOXTRAVPR2
SCHEMBL4828696 0.89 AVPR1A (0.56) AVPR1AOXTRAVPR2
SCHEMBL18917218 0.87 AVPR1A (0.57) AVPR1AOXTRAVPR2
SCHEMBL4837556 0.86 AVPR1A (0.56) AVPR1AOXTRAVPR2
SCHEMBL18917234 0.85 AVPR1A (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP claimed