SCHEMBL9871107

SCHEMBL9871107

Cc1nnc(C)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.42
AGTR2 P50052 8/20 0.42
TLR7 Q9NYK1 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9879548 0.86 AGTR1 (0.42) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9871710 0.86 AGTR1 (0.42) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9872818 0.86 AGTR1 (0.42) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9874006 0.86 AGTR1 (0.44) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9874254 0.86 AGTR1 (0.42) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9874430 0.86 AGTR1 (0.44) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9874210 0.86 AGTR1 (0.42) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9872325 0.85 AGTR1 (0.40) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9873513 0.85 TLR7 (0.42) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9874993 0.85 AGTR1 (0.40) AGTR1AGTR2TLR7KMT2AKDM4E

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