SCHEMBL9871068

SCHEMBL9871068

c1ccc(COc2nnc(OCc3ccccc3)c3c2nc(C2CCCCC2)n3Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
AGTR2 P50052 5/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
IGF1R P08069 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 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
SCHEMBL9872288 0.94 AGTR1 (0.37) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9871757 0.91 AGTR1 (0.39) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9873176 0.90 TLR7 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9872186 0.89 AGTR1 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9873513 0.88 TLR7 (0.42) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9873713 0.87 AGTR1 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9874922 0.85 AGTR1 (0.41) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9872936 0.84 AGTR1 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9871921 0.84 AGTR2 (0.38) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9874274 0.84 AGTR2 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1

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