SCHEMBL9873459

SCHEMBL9873459

CC(C)(C)Cc1nc2c(-c3ccccc3)nnc(-c3ccccc3)c2n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.32
AGTR1 P30556 3/20 0.32
HTR6 P50406 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9873127 0.92 AGTR2 (0.38) AGTR2AGTR1
SCHEMBL9874148 0.85 AGTR2 (0.36) AGTR2AGTR1
SCHEMBL9874176 0.79 AGTR1 (0.31) AGTR2AGTR1
SCHEMBL9872519 0.79 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL9873359 0.78 AGTR2 (0.39) AGTR2AGTR1
SCHEMBL9873002 0.77 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9874500 0.77 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9708515 0.77 PDE1A (0.42) MEN1KMT2A
SCHEMBL9707847 0.77 PDE5A (0.45)
SCHEMBL9872051 0.76 AGTR1 (0.38) AGTR2AGTR1

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