SCHEMBL7369602

SCHEMBL7369602

COc1cc(N)ccc1-c1nc(-c2cccnc2)c(C)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.56
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
SMPD3 Q9NY59 1/20 0.46
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
AXL P30530 1/20 0.43
PDE7A Q13946 4/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1B1 Q16678 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
IMPDH2 P12268 1/20 0.41

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
SCHEMBL7370913 0.87 NPY5R (0.57) NPY5RSMPD3CYP19A1CYP11B1CYP11B2
SCHEMBL7372225 0.86 NPY5R (0.62) NPY5RMKNK1MKNK2SMPD3CYP19A1
SCHEMBL7371445 0.84 NPY5R (0.67) NPY5RSMPD3MAPTHTTPDGFRB
SCHEMBL7377111 0.84 NPY5R (0.54) NPY5RMKNK1MKNK2SMPD3CYP19A1
SCHEMBL7368078 0.84 NPY5R (0.53) NPY5RMKNK1MKNK2SMPD3CYP19A1
SCHEMBL7370879 0.81 NPY5R (0.59) NPY5RMKNK1MKNK2SMPD3MAPT
SCHEMBL7365692 0.81 NPY5R (0.57) NPY5RSMPD3CYP19A1CYP11B1CYP11B2
SCHEMBL7370252 0.80 ALDH1A1 (0.53) NPY5RMKNK1MKNK2SMPD3MAPT
SCHEMBL21076869 0.80 MKNK1 (0.66) MKNK1MKNK2CYP19A1CYP11B1CYP11B2
SCHEMBL7372369 0.79 NPY5R (0.59) NPY5RSMPD3MAPTPDGFRBPDGFRA

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