SCHEMBL25622366

SCHEMBL25622366

CC1(C)CC2=C(C(=O)O1)N([C@H]1CC[C@H](C#N)CC1)C=C=C2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.37
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17456280 0.67 CYP11B2 (0.67) CYP11B2MEN1GAATHRBKMT2A
SCHEMBL20245828 0.59 MEN1 (0.33) CYP11B2MEN1GAATHRBKMT2A
SCHEMBL20245714 0.58 MEN1 (0.43) MEN1GAATHRBKMT2A
SCHEMBL21831990 0.54 CYP11B2 (1.00) CYP11B2
SCHEMBL45941 0.51 KDM4E (0.34) —
SCHEMBL1164553 0.51 KDM4E (0.34) —
SCHEMBL6618 0.51 — —
SCHEMBL1343696 0.51 KDM4E (0.34) —
SCHEMBL16146464 0.50 — —
SCHEMBL20245540 0.50 MEN1 (0.57) MEN1GAATHRBKMT2A

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
WO-2023114170-A1 ALDOSTERONE SYNTHASE INHIBITORS FOR TREATING CHRONIC KIDNEY DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 — — WO disclosed
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