SCHEMBL9874043

SCHEMBL9874043

O=C1CCCCC1c1nnc(O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.40
AGTR2 P50052 9/20 0.40
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.33

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
SCHEMBL9873884 0.91 AGTR1 (0.40) AGTR1AGTR2KMT2APPARG
SCHEMBL9874392 0.89 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9871710 0.89 AGTR1 (0.42) AGTR1AGTR2KMT2A
SCHEMBL9873818 0.87 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9872906 0.86 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9872125 0.86 AGTR1 (0.40) AGTR1AGTR2KMT2A
SCHEMBL9872282 0.85 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9873995 0.85 AGTR1 (0.41) AGTR1AGTR2KMT2A
SCHEMBL9874786 0.85 AGTR1 (0.40) AGTR1AGTR2KMT2A
SCHEMBL9872996 0.85 AGTR1 (0.41) AGTR1AGTR2KMT2A

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