SCHEMBL7365692

SCHEMBL7365692

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.57
CYP11B2 P19099 5/20 0.50
CYP11B1 P15538 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP17A1 P05093 4/20 0.49
CYP19A1 P11511 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMPD3 Q9NY59 1/20 0.46
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR1I2 O75469 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
SCHEMBL7370913 0.91 NPY5R (0.57) NPY5RCYP11B2CYP11B1KDM4ENPC1
SCHEMBL7371445 0.85 NPY5R (0.67) NPY5RNPSR1ALDH1A1SMPD3L3MBTL1
SCHEMBL27674585 0.83 NPY5R (0.67) NPY5RCYP11B2CYP11B1NPC1CYP17A1
SCHEMBL28763036 0.83 NPY5R (0.74) NPY5RCYP11B2CYP11B1KDM4ENPC1
SCHEMBL7370879 0.82 NPY5R (0.59) NPY5RCYP11B2CYP11B1NPC1CYP17A1
SCHEMBL7369602 0.81 NPY5R (0.56) NPY5RCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL7372225 0.81 NPY5R (0.62) NPY5RCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL7368078 0.80 NPY5R (0.53) NPY5RCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL7372369 0.80 NPY5R (0.59) NPY5RKDM4EALDH1A1HPGDSMPD3
SCHEMBL7371145 0.80 NPY5R (0.65) NPY5RKDM4ENPSR1ALDH1A1HPGD

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