SCHEMBL9872663

SCHEMBL9872663

CCCCc1nc2c(Cl)nnc(Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.53
AGTR2 P50052 9/20 0.53
GP6 Q9HCN6 1/20 0.49
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL9873306 0.93 AGTR1 (0.50) AGTR1AGTR2GP6ABCC4ABCB11
SCHEMBL9874627 0.87 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9872323 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9874616 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9873623 0.86 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9874104 0.86 TLR7 (0.53) AGTR1AGTR2
SCHEMBL9873526 0.86 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9874500 0.86 AGTR1 (0.38) AGTR1AGTR2GP6
SCHEMBL940 0.86 GP6 (0.56) AGTR1AGTR2GP6ABCC4ABCB11
SCHEMBL3347428 0.86 GP6 (0.54) AGTR1AGTR2GP6ABCC4ABCB11

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