SCHEMBL7984428

SCHEMBL7984428

COC(=O)CCc1ccc(Cn2cncc2C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.61
CYP11B2 P19099 11/20 0.61
HRH3 Q9Y5N1 1/20 0.37
HDAC1 Q13547 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL7981226 0.83 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL3882851 0.82 CYP11B2 (0.56) CYP11B1CYP11B2
SCHEMBL7981213 0.81 CYP11B1 (0.73) CYP11B1CYP11B2
SCHEMBL19350019 0.80 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL8129319 0.79 CYP11B2 (0.62) CYP11B1CYP11B2
SCHEMBL7995117 0.78 CYP11B1 (0.52) CYP11B1CYP11B2HDAC1
SCHEMBL7995116 0.78 CYP11B1 (0.52) CYP11B1CYP11B2HDAC1
SCHEMBL8138876 0.77 CYP11B2 (0.56) CYP11B1CYP11B2
SCHEMBL3978013 0.77 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL7696780 0.77 CYP11B1 (0.67) CYP11B1CYP11B2

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
WO-2001009124-A1 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed
WO-2001009112-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed