SCHEMBL9700488

SCHEMBL9700488

CCC(C)c1nc(C(=O)C2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.35
AGTR2 P50052 5/20 0.34
PPARG P37231 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
TP53 P04637 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GABRA1 P14867 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
SCHEMBL9529277 0.89 AGTR1 (0.37) AGTR1AGTR2PPARGKDM4EMEN1
SCHEMBL9530272 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL6005402 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9527802 0.86 AGTR1 (0.43) AGTR1AGTR2PPARGKDM4EMEN1
SCHEMBL9527585 0.86 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9527886 0.85 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9529791 0.85 AGTR1 (0.36) AGTR1AGTR2PPARG
SCHEMBL9527893 0.85 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9528235 0.84 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9527193 0.84 AGTR1 (0.35) AGTR1AGTR2PPARG

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
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed