SCHEMBL9879648

SCHEMBL9879648

CC(C)(C)Cc1nc2c(C3CCCCC3)nnc(C3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.37
AGTR2 P50052 12/20 0.37
CNR2 P34972 1/20 0.35
PPARG P37231 3/20 0.34

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
SCHEMBL9874944 0.94 AGTR1 (0.35) AGTR1AGTR2CNR2PPARG
SCHEMBL9879398 0.88 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9879548 0.86 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9872856 0.85 PPARG (0.34) AGTR1AGTR2PPARG
SCHEMBL9874765 0.83 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9872906 0.83 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9872139 0.82 PPARG (0.34) AGTR1AGTR2PPARG
SCHEMBL9873883 0.82 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9873131 0.82 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9872102 0.82 AGTR1 (0.35) AGTR1AGTR2PPARG

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