SCHEMBL7371561

SCHEMBL7371561

COc1ccc(-c2nc(C)c(-c3cccnc3)[nH]2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.56
CYP3A4 P08684 3/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP1B1 Q16678 2/20 0.56
CYP11B2 P19099 6/20 0.51
CYP11B1 P15538 5/20 0.51
CYP17A1 P05093 4/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP19A1 P11511 1/20 0.49
NPY5R Q15761 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45

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
Hydrochloric Acid SCHEMBL7370882 0.99 PDE2A (0.55) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL7376624 0.90 CYP11B1 (0.50) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL7371110 0.89 PDGFRB (0.46) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL7374146 0.88 PDGFRB (0.43) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL7370258 0.87 MKNK1 (0.46) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL7365284 0.87 PDGFRB (0.51) CYP3A4CYP1A1CYP1A2CYP1B1CYP11B2
SCHEMBL7373044 0.87 CYP11B1 (0.49) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL20445308 0.87 PDE2A (0.55) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL7372367 0.86 CYP11B2 (0.45) CYP3A4CYP1A1CYP1A2CYP1B1CYP11B2
Hydrochloric Acid SCHEMBL23736209 0.85 PDE2A (0.54) PDE2ACYP3A4CYP1A1CYP1A2CYP1B1

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-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed