SCHEMBL9872149

SCHEMBL9872149

CC(C)(C)Cc1nc2c(OCc3ccccc3)nnc(OCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.36
AGTR2 P50052 5/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
RHEB Q15382 2/20 0.33

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
SCHEMBL9873279 0.94 AGTR1 (0.34) AGTR1AGTR2RHEB
SCHEMBL9874756 0.92 AGTR1 (0.39) AGTR1AGTR2PDE3A
SCHEMBL9874789 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9872108 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9874957 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873410 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9874827 0.87 AGTR1 (0.37) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9874172 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9873660 0.85 PDE3A (0.35) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9874520 0.84 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