SCHEMBL9874765

SCHEMBL9874765

CC(C)(C)Cc1nc2c(SC3CCCCC3)nnc(SC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.35
AGTR2 P50052 11/20 0.35

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
SCHEMBL9872553 0.94 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9871040 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9874003 0.86 PPARG (0.34) AGTR1AGTR2
SCHEMBL9874653 0.85 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9874369 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9871857 0.84 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9873750 0.83 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9879648 0.83 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9874224 0.83 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9874728 0.83 AGTR1 (0.37) AGTR1AGTR2

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-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed