SCHEMBL9635705

SCHEMBL9635705

COc1ccc(-c2nc3cnccc3[nH]2)c(OCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.47
PDE5A O76074 7/20 0.47
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AMY1A P0DUB6 2/20 0.41
ACHE P22303 1/20 0.41
CBFB Q13951 2/20 0.40
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9636138 0.92 PDE5A (0.46) PDE2APDE5ACYP11B1CYP11B2PDE3B
SCHEMBL9634798 0.90 PDE5A (0.47) PDE5ACYP11B1CYP11B2PDE3BPDE3A
SCHEMBL7282319 0.90 PDE5A (0.54) PDE2APDE5ACYP11B1CYP11B2PDE3B
SCHEMBL7271240 0.90 PDE2A (0.48) PDE2APDE5ACYP11B1CYP11B2PDE3B
SCHEMBL7279538 0.90 PDE5A (0.51) PDE2APDE5ACYP11B1CYP11B2PDE3B
SCHEMBL10416990 0.89 PDE2A (0.47) PDE2APDE5ACYP11B1CYP11B2PDE3B
Hydrochloric Acid SCHEMBL10849048 0.89 PDE5A (0.51) PDE2APDE5ACYP11B1CYP11B2PDE3B
SCHEMBL10848217 0.89 PDE2A (0.47) PDE2APDE5ACYP11B1CYP11B2PDE3B
SCHEMBL9634828 0.88 PDE5A (0.45) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL7272286 0.88 PDE2A (0.50) PDE2APDE5ACYP11B1CYP11B2PDE3B

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