SCHEMBL9634823

SCHEMBL9634823

C#CCOc1ccc(-c2ncc[nH]2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.44
MAOA P21397 7/20 0.44
SMPD3 Q9NY59 1/20 0.43
MC4R P32245 2/20 0.41
PDE2A O00408 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6003238 0.83 PDE2A (0.55) SMPD3PDE2AGAACDK4CCNA2
SCHEMBL10737624 0.78 PDE2A (0.52) MAOBMAOAPDE2AMGAMGAA
SCHEMBL10922444 0.78 MAPT (0.50) MAOBMAOAPDE2ACYP3A4
SCHEMBL3642126 0.78 SMPD3 (0.47) SMPD3MC4RPDE2ACDK4CCNA2
Hydrochloric Acid SCHEMBL10740453 0.77 PDE2A (0.51) MAOBMAOAPDE2AMGAMGAA
SCHEMBL9635780 0.77 PDE2A (0.75) PDE2ACYP1A2
SCHEMBL10610963 0.77 PDE2A (0.45) MAOBMAOAPDE2AMGAMGAA
SCHEMBL26908230 0.76 CYP1A2 (0.60) MAOBMAOACYP1A2CYP3A4CYP2D6
SCHEMBL11018835 0.76 MEN1 (0.47) MAOBPDE2AGAACYP3A4
SCHEMBL9634540 0.76 PDE5A (0.47) MAOBMAOAPDE2ACDK4CCNA2

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 2 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
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed