SCHEMBL8800534

SCHEMBL8800534

Nc1ccc2[nH]c(CCCn3ccnc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD4 P21917 1/20 0.41
TBXAS1 P24557 2/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 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
SCHEMBL18940340 0.73 CYP19A1 (0.49) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL27978584 0.72 CYP2A6 (0.51) MEN1KMT2A
SCHEMBL5655551 0.72 CYP19A1 (0.71) CYP19A1KMT2ATBXAS1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL22283559 0.72 CYP19A1 (0.48) CYP19A1MEN1KMT2ATBXAS1CYP11B1
SCHEMBL6169029 0.72 CYP2A6 (0.44) CYP19A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL1540078 0.71 PIM1 (0.52) MEN1KMT2ADRD4
SCHEMBL7088292 0.70 CYP24A1 (0.63) TBXAS1CYP11B1CYP11B2
SCHEMBL1122018 0.70 NOS3 (0.55) TBXAS1CYP11B1CYP11B2
SCHEMBL8801068 0.70 GPR84 (0.51) MEN1KMT2A
SCHEMBL10461655 0.69 CYP19A1 (0.51) CYP19A1TBXAS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed