SCHEMBL10175455

SCHEMBL10175455

Cn1c(-c2cncc(C#N)c2)nc2ccc(F)c(F)c21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.51
CYP11B1 P15538 7/20 0.51
SSTR5 P35346 1/20 0.39
MET P08581 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CG P48736 1/20 0.36
TLR7 Q9NYK1 3/20 0.36
NPY5R Q15761 1/20 0.35

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
SCHEMBL10175117 0.84 CYP11B2 (0.67) CYP11B2CYP11B1
SCHEMBL10176205 0.83 CYP11B2 (0.56) CYP11B2CYP11B1PIK3CGTLR7
SCHEMBL10175459 0.83 CYP11B2 (0.56) CYP11B2CYP11B1
SCHEMBL17896704 0.81 CYP11B2 (0.49) CYP11B2CYP11B1SSTR5TLR7NPY5R
SCHEMBL17896705 0.81 CYP11B2 (0.54) CYP11B2CYP11B1TLR7
SCHEMBL462661 0.81 CYP11B2 (0.46) CYP11B2CYP11B1SSTR5TLR7
SCHEMBL17897057 0.79 CYP11B2 (0.52) CYP11B2CYP11B1
SCHEMBL17896707 0.79 CYP11B2 (0.52) CYP11B2CYP11B1
SCHEMBL10175146 0.79 CYP11B2 (0.67) CYP11B2CYP11B1
SCHEMBL17896609 0.77 CYP11B2 (0.48) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US claimed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed