SCHEMBL8258677

SCHEMBL8258677

Clc1ccc(-n2c(Cn3nccn3)nnc2N2CC3=CC=CCC3C2)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.31

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
SCHEMBL8257678 0.83 AVPR1A (0.41) AVPR1A
SCHEMBL8259643 0.80 AVPR1A (0.38) AVPR1A
SCHEMBL4619490 0.75 TRPA1 (0.39) AVPR1A
SCHEMBL4620868 0.74 WDR91 (0.39) AVPR1A
SCHEMBL4685389 0.73 AVPR1A (0.38) AVPR1A
SCHEMBL4624366 0.72 TRPA1 (0.34) AVPR1A
SCHEMBL4622389 0.72 TRPA1 (0.38) AVPR1A
SCHEMBL4887345 0.70 TIPARP (0.36) AVPR1A
SCHEMBL316421 0.70 NOTUM (0.48) AVPR1A
SCHEMBL4685446 0.69 DRD2 (0.35) AVPR1A

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
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO disclosed