SCHEMBL9873077

SCHEMBL9873077

CC(C)c1nc2c(Cl)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.35
AGTR2 P50052 3/20 0.34
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GP6 Q9HCN6 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
SCHEMBL9873778 0.94 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9873834 0.93 AGTR1 (0.35) AGTR1AGTR2GP6
SCHEMBL9874357 0.91 PPARG (0.35) AGTR1
SCHEMBL9873334 0.90 GRM2 (0.33) AGTR1AGTR2
SCHEMBL9874380 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874661 0.89 AGTR2 (0.35) AGTR2
SCHEMBL9874673 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9873620 0.89 PPARG (0.34)
SCHEMBL9873643 0.89 GP6 (0.36) AGTR1AGTR2GP6
SCHEMBL9871600 0.88 AGTR1 (0.38) AGTR1AGTR2ABCC4ABCB11PDE3B

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