SCHEMBL9016501

SCHEMBL9016501

Cc1cnc2c(nc(C3CC3)n2-c2ccc(-c3ccccc3C#N)cc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
CNR1 P21554 2/20 0.35
NR3C1 P04150 1/20 0.35
ABL1 P00519 1/20 0.35
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA2 P47869 4/20 0.35
ESR2 Q92731 1/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
VCP P55072 1/20 0.34
TRPA1 O75762 1/20 0.33
AVPR1A P37288 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL9016476 0.87 ESR2 (0.36) AGTR1AGTR2CNR1NR3C1ABL1
SCHEMBL8873723 0.84 ESR2 (0.34) AGTR1AGTR2CNR1NR3C1ABL1
SCHEMBL8872253 0.83 AGTR1 (0.43) AGTR1AGTR2NR3C1ABL1GABRA1
SCHEMBL9016411 0.82 SLC6A9 (0.40) CNR1NR3C1GABRA1GABRG2GABRB3
SCHEMBL9016423 0.80 PPARG (0.46) AGTR1AGTR2CNR1NR3C1GABRA1
SCHEMBL8958791 0.80 AGTR1 (0.47) AGTR1AGTR2LMNA
SCHEMBL9016493 0.78 APLNR (0.42) AGTR1AGTR2NR3C1
SCHEMBL8872592 0.76 AGTR1 (0.50) AGTR1AGTR2CNR2
SCHEMBL8872236 0.73 AGTR1 (0.69) AGTR1AGTR2CNR2
SCHEMBL9016407 0.73 ALDH1A1 (0.38) AGTR1AGTR2LMNACYP1A2CYP2C19

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