SCHEMBL9872036

SCHEMBL9872036

CCc1nnc(O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.41
AGTR2 P50052 10/20 0.41
TLR7 Q9NYK1 1/20 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
SCHEMBL9871043 0.94 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL9874254 0.93 AGTR1 (0.42) AGTR1AGTR2TLR7
SCHEMBL9871710 0.93 AGTR1 (0.42) AGTR1AGTR2TLR7
SCHEMBL9874735 0.91 AGTR1 (0.40) AGTR1AGTR2TLR7
SCHEMBL9871777 0.90 AGTR1 (0.38) AGTR1AGTR2TLR7
SCHEMBL9873884 0.89 AGTR1 (0.40) AGTR1AGTR2TLR7
SCHEMBL9872125 0.89 AGTR1 (0.40) AGTR1AGTR2TLR7
SCHEMBL9874786 0.89 AGTR1 (0.40) AGTR1AGTR2TLR7
SCHEMBL9872996 0.89 AGTR1 (0.41) AGTR1AGTR2TLR7
SCHEMBL9874647 0.88 AGTR1 (0.38) AGTR1AGTR2TLR7

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