SCHEMBL9853647

SCHEMBL9853647

CCCCc1nc2cnncc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.64
AGTR2 P50052 6/20 0.64

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
SCHEMBL8393351 0.90 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9853665 0.89 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9853658 0.89 AGTR1 (0.57) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9313883 0.88 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9854234 0.88 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9194965 0.87 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9031623 0.86 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9874393 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7841529 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9198359 0.85 AGTR1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP 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
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed