SCHEMBL20246093

SCHEMBL20246093

CC1(CN=O)Cc2ncn(-c3ccc4c(c3)CCC4)c2C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 19/20 0.44
▸ HCAR1 Q9BXC0 1/20 0.41

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
SCHEMBL17456288 0.73 CYP11B2 (0.56) CYP11B2
SCHEMBL17456306 0.72 CYP11B2 (0.61) CYP11B2
SCHEMBL17456326 0.72 CYP11B2 (0.61) CYP11B2
SCHEMBL17456284 0.72 CYP11B2 (0.61) CYP11B2
SCHEMBL17732404 0.72 CYP11B2 (0.61) CYP11B2
SCHEMBL17456269 0.71 CYP11B2 (0.60) CYP11B2
SCHEMBL17456265 0.69 CYP11B2 (0.58) CYP11B2
SCHEMBL17456274 0.67 CYP11B2 (0.67) CYP11B2
SCHEMBL17456319 0.67 CYP11B2 (0.64) CYP11B2
SCHEMBL17456310 0.67 CYP11B2 (0.60) CYP11B2

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
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 — — EP disclosed
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