SCHEMBL17732403

SCHEMBL17732403

CC[C@]1(C)Cc2ncn(-c3ccc(C#N)c(Cl)c3)c2C(=O)O1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 20/20 0.66
▸ CYP11B1 P15538 2/20 0.58

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
SCHEMBL17732402 1.00 CYP11B2 (0.66) CYP11B2CYP11B1
Vicadrostat SCHEMBL17465823 0.91 CYP11B2 (0.64) CYP11B2CYP11B1
Vicadrostat SCHEMBL17456323 0.91 CYP11B2 (0.64) CYP11B2CYP11B1
Vicadrostat SCHEMBL17456267 0.91 CYP11B2 (0.64) CYP11B2CYP11B1
SCHEMBL17456321 0.91 CYP11B2 (0.64) CYP11B2CYP11B1
SCHEMBL17732406 0.89 CYP11B2 (0.65) CYP11B2CYP11B1
SCHEMBL17456270 0.88 CYP11B2 (0.70) CYP11B2CYP11B1
SCHEMBL17732404 0.88 CYP11B2 (0.61) CYP11B2CYP11B1
SCHEMBL31307589 0.86 CYP11B2 (0.58) CYP11B2CYP11B1
SCHEMBL17456263 0.86 CYP11B2 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
Send feedback