SCHEMBL9873260

SCHEMBL9873260

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.46
AGTR2 P50052 3/20 0.46

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
SCHEMBL9872204 0.94 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9873358 0.93 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9875077 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9872990 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9873526 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9873343 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9872962 0.88 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9873851 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9874518 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9871494 0.87 PDE10A (0.36) 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 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