SCHEMBL9634814

SCHEMBL9634814

CCOC(=O)COc1ccc(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.48
PDE5A O76074 4/20 0.46
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
P2RY12 Q9H244 2/20 0.46
ADORA2A P29274 1/20 0.43
PDE2A O00408 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
NTSR1 P30989 1/20 0.40

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
SCHEMBL9634642 0.94 PDE3B (0.48) ADORA2BPDE5APDE3BPDE3AP2RY12
SCHEMBL9635556 0.93 PDE3B (0.47) ADORA2BPDE5APDE3BPDE3AP2RY12
SCHEMBL9635076 0.91 PDE5A (0.48) ADORA2BPDE5APDE3BPDE3APDE2A
SCHEMBL9634800 0.89 ADORA2A (0.54) ADORA2BPDE3BPDE3AP2RY12ADORA2A
SCHEMBL9636187 0.88 PDE3B (0.43) ADORA2BPDE5APDE3BPDE3AP2RY12
SCHEMBL9634577 0.88 PDE3B (0.43) ADORA2BPDE5APDE3BPDE3AP2RY12
SCHEMBL9634292 0.88 PDE5A (0.49) ADORA2BPDE5APDE3BPDE3AP2RY12
SCHEMBL9636149 0.87 PDE5A (0.40) PDE5APDE3BPDE3AP2RY12PDE2A
SCHEMBL7281375 0.87 PDE5A (0.51) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9634942 0.86 PDE3B (0.41) ADORA2BPDE5APDE3BPDE3AP2RY12

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