SCHEMBL18917289

SCHEMBL18917289

Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(C(N)=O)cc1Cl)C2

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.68
OXTR P30559 8/20 0.68
AVPR2 P30518 6/20 0.68
TSPO P30536 2/20 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
SCHEMBL18917220 0.93 AVPR1A (0.63) AVPR1AOXTRAVPR2TSPO
SCHEMBL18917292 0.91 AVPR1A (0.65) AVPR1AOXTRAVPR2TSPO
SCHEMBL2704077 0.90 AVPR1A (0.55) AVPR1AOXTRAVPR2
SCHEMBL2705084 0.89 AVPR1A (0.57) AVPR1AOXTRAVPR2
SCHEMBL18917241 0.89 AVPR1A (0.56) AVPR1AOXTRAVPR2TSPO
SCHEMBL18917290 0.86 AVPR1A (0.67) AVPR1AOXTRAVPR2TSPO
SCHEMBL30045583 0.85 AVPR1A (0.66) AVPR1AOXTRAVPR2TSPO
SCHEMBL20277787 0.85 AVPR1A (0.66) AVPR1AOXTRAVPR2TSPO
SCHEMBL18917272 0.85 AVPR1A (0.70) AVPR1AOXTRAVPR2TSPO
SCHEMBL18917288 0.83 AVPR1A (0.61) AVPR1AOXTRAVPR2TSPO

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