SCHEMBL3516989

SCHEMBL3516989

CCCCCC12CCC(c3nnc(-c4ccccc4Cl)n3C)(CC1)CC2

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.72
HSD11B2 P80365 5/20 0.72

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
SCHEMBL13784359 0.88 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL13784415 0.87 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL13784365 0.86 HSD11B1 (0.72) HSD11B1HSD11B2
SCHEMBL13784368 0.86 HSD11B1 (0.72) HSD11B1HSD11B2
SCHEMBL4324902 0.85 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL13784367 0.84 HSD11B1 (0.69) HSD11B1HSD11B2
SCHEMBL13784362 0.84 HSD11B1 (0.69) HSD11B1HSD11B2
SCHEMBL13784357 0.84 HSD11B1 (0.68) HSD11B1HSD11B2
SCHEMBL13784342 0.84 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL13784754 0.84 HSD11B1 (0.68) HSD11B1HSD11B2

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
US-20100292085-A1 Methods and compositions for characterization of HSD1 inhibitors LUM PEK YEE 2010-11-18 US disclosed