SCHEMBL17896607

SCHEMBL17896607

N#Cc1ccc2nc(-c3ccncc3)n(C3CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 20/20 0.74
CYP11B1 P15538 15/20 0.74

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
SCHEMBL20337690 0.86 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL458680 0.85 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL17896618 0.82 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL17896605 0.82 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL17897055 0.82 CYP11B2 (0.88) CYP11B2CYP11B1
SCHEMBL17896606 0.81 CYP11B2 (0.66) CYP11B2CYP11B1
SCHEMBL17896608 0.81 CYP11B2 (0.66) CYP11B2CYP11B1
SCHEMBL17896656 0.80 CYP11B2 (0.53) CYP11B2CYP11B1
SCHEMBL20338196 0.80 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL461228 0.79 CYP11B2 (0.71) 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 2 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 disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed