SCHEMBL14277201

SCHEMBL14277201

CC12CC3CC(C)(C1)CC(c1nnc4n1CCCCCCC4)(C3)C2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.66
HSD17B1 P14061 1/20 0.66
HSD11B2 P80365 9/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL14277197 1.00 HSD11B1 (0.66) HSD11B1HSD17B1HSD11B2POLB
SCHEMBL14277194 1.00 HSD11B1 (0.66) HSD11B1HSD17B1HSD11B2POLB
SCHEMBL14277193 0.99 HSD11B1 (0.63) HSD11B1HSD17B1HSD11B2POLB
SCHEMBL5253884 0.94 HSD11B1 (0.57) HSD11B1HSD17B1HSD11B2POLB
Trifluoroacetic Acid SCHEMBL5104740 0.89 HSD11B1 (0.53) HSD11B1HSD17B1HSD11B2
Trifluoroacetic Acid SCHEMBL5098023 0.89 HSD11B1 (0.53) HSD11B1HSD17B1HSD11B2
Trifluoroacetic Acid SCHEMBL5095893 0.89 HSD11B1 (0.53) HSD11B1HSD17B1HSD11B2
SCHEMBL14382298 0.88 HSD11B1 (0.72) HSD11B1HSD17B1HSD11B2POLB
Trifluoroacetic Acid SCHEMBL5098031 0.87 HSD11B1 (0.51) HSD11B1HSD17B1HSD11B2
SCHEMBL5104769 0.86 HSD11B1 (0.59) HSD11B1HSD17B1HSD11B2POLB

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-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed