SCHEMBL9874786

SCHEMBL9874786

Oc1nnc(F)c2nc(C3CCCCC3)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.40
AGTR2 P50052 5/20 0.40
GRM2 Q14416 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HRH1 P35367 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 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
SCHEMBL9871710 0.94 AGTR1 (0.42) AGTR1AGTR2GRM2KMT2AKDM4E
SCHEMBL9874210 0.93 AGTR1 (0.42) AGTR1AGTR2GRM2KMT2AKDM4E
SCHEMBL9872125 0.91 AGTR1 (0.40) AGTR1AGTR2GRM2KMT2AKDM4E
SCHEMBL9873884 0.91 AGTR1 (0.40) AGTR1AGTR2GRM2KMT2AKDM4E
SCHEMBL9872996 0.90 AGTR1 (0.41) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9873145 0.89 AGTR1 (0.39) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9872036 0.89 AGTR1 (0.41) AGTR1AGTR2TLR7
SCHEMBL9873995 0.89 AGTR1 (0.41) AGTR1AGTR2GRM2KMT2AKDM4E
SCHEMBL9873587 0.88 TLR7 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9873108 0.88 AGTR1 (0.38) AGTR1AGTR2GRM2KMT2AKDM4E

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