SCHEMBL9634577

SCHEMBL9634577

C#CCOc1cc(OCC(=O)OCC)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
P2RY12 Q9H244 2/20 0.43
ADORA2B P29275 2/20 0.41
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NTSR1 P30989 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9634942 0.96 PDE3B (0.41) PDE3BPDE3AP2RY12ADORA2BADORA2A
SCHEMBL9634642 0.92 PDE3B (0.48) PDE3BPDE3AP2RY12ADORA2BADORA2A
SCHEMBL9634873 0.91 PDE5A (0.38) PDE3BPDE3AP2RY12KDM4EGAA
SCHEMBL9635556 0.91 PDE3B (0.47) PDE3BPDE3AP2RY12ADORA2BADORA2A
SCHEMBL9634814 0.88 ADORA2B (0.48) PDE3BPDE3AP2RY12ADORA2BADORA2A
SCHEMBL9635773 0.88 PDE3B (0.39) PDE3BPDE3AP2RY12ADORA2BADORA2A
SCHEMBL9634624 0.88 CBFB (0.41) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL9636063 0.88 PDE5A (0.38) PDE3BPDE3AP2RY12KDM4EGAA
SCHEMBL9634582 0.86 PDE5A (0.40) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL9636187 0.86 PDE3B (0.43) PDE3BPDE3AP2RY12ADORA2BADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed