SCHEMBL9873125

SCHEMBL9873125

CC(C)(C)Cc1nc2c(SCc3ccccc3)nnc(SCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
PDE7A Q13946 4/20 0.36
PDE7B Q9NP56 4/20 0.36
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 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
SCHEMBL9874995 0.94 AGTR1 (0.35) AGTR1AGTR2PDE7APDE7BPDE4A
SCHEMBL9871857 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9873563 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9874369 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874224 0.87 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9871433 0.87 PDE4A (0.40) AGTR1AGTR2PDE7APDE7BPDE4A
SCHEMBL9874728 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9872314 0.85 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9873196 0.85 PDE7A (0.40) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL9873881 0.83 AGTR1 (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