SCHEMBL9874556

SCHEMBL9874556

O=C(O)c1ccccc1-c1ccc(Cn2c(C3CCCCC3)nc3cnncc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.62
AGTR2 P50052 4/20 0.62
BRS3 P32247 1/20 0.50
PPARG P37231 6/20 0.49
GRM2 Q14416 1/20 0.47

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
SCHEMBL9874352 0.86 AGTR1 (0.51) AGTR1AGTR2BRS3PPARG
SCHEMBL8392550 0.85 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL8392698 0.83 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL9874652 0.81 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL9873338 0.80 AGTR1 (0.57) AGTR1AGTR2BRS3PPARG
SCHEMBL9872350 0.80 AGTR1 (0.53) AGTR1AGTR2BRS3PPARG
SCHEMBL9874384 0.80 AGTR1 (0.59) AGTR1AGTR2BRS3PPARG
SCHEMBL9871819 0.79 AGTR1 (0.58) AGTR1AGTR2BRS3PPARG
SCHEMBL9872679 0.79 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL9873136 0.78 AGTR1 (0.60) AGTR1AGTR2BRS3PPARG

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 2 patents. 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 claimed
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