SCHEMBL9016476

SCHEMBL9016476

Cc1nc2c(nc(C3CC3)n2-c2ccc(-c3ccccc3C#N)cc2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
NR3C1 P04150 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
CNR2 P34972 2/20 0.33
PPARG P37231 1/20 0.33
CNR1 P21554 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
ABL1 P00519 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
AVPR1A P37288 1/20 0.32

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
SCHEMBL8873723 0.91 ESR2 (0.34) ESR2AGTR1AGTR2NR3C1GPR119
SCHEMBL9016501 0.87 AGTR1 (0.37) ESR2AGTR1AGTR2NR3C1GPR119
SCHEMBL8872253 0.85 AGTR1 (0.43) ESR2AGTR1AGTR2NR3C1PPARG
SCHEMBL9016524 0.81 PPARG (0.41) ESR2AGTR1NR3C1PPARGTRPA1
SCHEMBL9016407 0.79 ALDH1A1 (0.38) AGTR1AGTR2PPARGCYP1A2CYP2C19
SCHEMBL9016422 0.79 PPARG (0.48) ESR2AGTR1AGTR2NR3C1PPARG
SCHEMBL8363423 0.77 AGTR1 (0.32) AGTR1AGTR2PPARG
SCHEMBL8359446 0.77 AGTR1 (0.33) AGTR1AGTR2PPARG
SCHEMBL8588243 0.77 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL8356866 0.77 AGTR1 (0.34) 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-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed