SCHEMBL461228

SCHEMBL461228

COc1cncc(-c2nc3ccc(C#N)cc3n2C2CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 20/20 0.71
CYP11B1 P15538 16/20 0.71

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
SCHEMBL17896643 0.93 CYP11B2 (0.66) CYP11B2CYP11B1
SCHEMBL17897067 0.90 CYP11B2 (0.66) CYP11B2CYP11B1
SCHEMBL17896605 0.84 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL17896618 0.84 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL17896655 0.84 CYP11B2 (0.69) CYP11B2CYP11B1
SCHEMBL17896611 0.83 CYP11B2 (0.50) CYP11B2CYP11B1
SCHEMBL20337690 0.83 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL20338201 0.83 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL17897055 0.81 CYP11B2 (0.88) CYP11B2CYP11B1
SCHEMBL458680 0.80 CYP11B2 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP claimed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO 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