SCHEMBL9872876

SCHEMBL9872876

CCCC(=O)c1nnc(O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.38
AGTR2 P50052 8/20 0.38
KMT2A Q03164 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PPARG P37231 2/20 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
SCHEMBL9873648 0.95 AGTR1 (0.41) AGTR1AGTR2KMT2ATLR7PPARG
SCHEMBL9871710 0.88 AGTR1 (0.42) AGTR1AGTR2KMT2ATLR7
SCHEMBL9871043 0.88 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL9872036 0.88 AGTR1 (0.41) AGTR1AGTR2TLR7
SCHEMBL9873630 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9874647 0.86 AGTR1 (0.38) AGTR1AGTR2TLR7
SCHEMBL9873443 0.86 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9871777 0.86 AGTR1 (0.38) AGTR1AGTR2KMT2ATLR7
SCHEMBL9872125 0.85 AGTR1 (0.40) AGTR1AGTR2KMT2ATLR7
SCHEMBL9873884 0.85 AGTR1 (0.40) AGTR1AGTR2KMT2ATLR7PPARG

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