SCHEMBL18917255

SCHEMBL18917255

Cc1nc2c(o1)-c1ccccc1N(C(=O)c1ccc(CNC(=O)OC3CCN(CCC(C)(C)C)CC3)c(C)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.42
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 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
SCHEMBL2128410 0.90 AVPR2 (0.43) AVPR2PDCD1CD274
SCHEMBL2705389 0.89 AVPR2 (0.42) AVPR2PDCD1CD274
SCHEMBL2704506 0.87 AVPR2 (0.44) AVPR2PDCD1CD274
SCHEMBL18917226 0.87 AVPR2 (0.42) AVPR2PDCD1CD274
SCHEMBL27789681 0.85 PDCD1 (0.38) AVPR2PDCD1CD274
SCHEMBL2130987 0.84 AVPR2 (0.51) AVPR2PDCD1CD274
SCHEMBL27768190 0.82 PDCD1 (0.39) AVPR2PDCD1CD274
SCHEMBL2129539 0.81 AVPR2 (0.49) AVPR2PDCD1CD274
SCHEMBL2628070 0.79 PDCD1 (0.52) AVPR2PDCD1CD274
SCHEMBL2616280 0.77 PDCD1 (0.49) AVPR2PDCD1CD274

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