SCHEMBL9873063

SCHEMBL9873063

CC(=O)Oc1nnc(O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.39
AGTR1 P30556 7/20 0.39
TLR7 Q9NYK1 1/20 0.35
PPARG P37231 5/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
TP53 P04637 1/20 0.35
PGR P06401 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 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
SCHEMBL9874274 0.95 AGTR2 (0.40) AGTR2AGTR1TLR7PPARGKMT2A
SCHEMBL9871720 0.92 AGTR1 (0.38) AGTR2AGTR1TLR7PPARGKMT2A
SCHEMBL9872969 0.91 AGTR1 (0.39) AGTR2AGTR1PPARGKMT2AKDM4E
SCHEMBL9873587 0.91 TLR7 (0.40) AGTR2AGTR1TLR7PPARGKMT2A
SCHEMBL9874313 0.90 AGTR2 (0.38) AGTR2AGTR1TLR7PPARGKMT2A
SCHEMBL9871710 0.89 AGTR1 (0.42) AGTR2AGTR1TLR7KMT2AKDM4E
SCHEMBL9872666 0.89 AGTR1 (0.39) AGTR2AGTR1TLR7PPARGKMT2A
SCHEMBL9871921 0.89 AGTR2 (0.38) AGTR2AGTR1TLR7PPARGKMT2A
SCHEMBL9872041 0.88 TLR7 (0.38) AGTR2AGTR1TLR7PPARGKMT2A
SCHEMBL9875174 0.87 AGTR2 (0.38) AGTR2AGTR1TLR7PPARGKMT2A

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