SCHEMBL9872330

SCHEMBL9872330

CC(C)c1nc2cnncc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.42
AGTR2 P50052 4/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRM2 Q14416 1/20 0.39
USP1 O94782 2/20 0.35
ALOX5AP P20292 2/20 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
SCHEMBL9873823 0.87 AGTR1 (0.43) AGTR1AGTR2HDAC1HDAC6GRM2
SCHEMBL9874328 0.85 AGTR1 (0.36) AGTR1AGTR2HDAC1HDAC6GRM2
SCHEMBL9874393 0.83 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9853647 0.82 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9873687 0.80 AGTR1 (0.43) AGTR1AGTR2GRM2ALOX5AP
SCHEMBL9873445 0.80 AGTR1 (0.33) AGTR1AGTR2GRM2
SCHEMBL9874581 0.79 AGTR1 (0.33) AGTR1AGTR2HDAC1HDAC6GRM2
SCHEMBL9873122 0.78 AGTR1 (0.35) AGTR1AGTR2USP1
SCHEMBL9873834 0.78 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9873118 0.78 PPARG (0.35) AGTR1AGTR2

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