SCHEMBL30722889

SCHEMBL30722889

CC(C)(C)OC(=O)NC1CCc2cc(CN)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA7 P43166 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CFD P00746 2/20 0.41
PLG P00747 1/20 0.41
BDKRB1 P46663 3/20 0.40
NPY1R P25929 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
SCN9A Q15858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR1H2 P55055 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3537141 0.93 CFD (0.49) CFDBDKRB1KMT2A
SCHEMBL3537138 0.93 CFD (0.49) CFDBDKRB1KMT2A
SCHEMBL8948165 0.84 CA12 (0.46) CA12CA7CA14CA1CA2
SCHEMBL8184216 0.84 CA12 (0.46) CA12CA7CA14CA1CA2
SCHEMBL12570114 0.84 CA12 (0.46) CA12CA7CA14CA1CA2
SCHEMBL31056297 0.84 CA12 (0.46) CA12CA7CA14CA1CA2
SCHEMBL24817021 0.83 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL8185532 0.83 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL31302986 0.83 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL31303024 0.83 TRPV1 (0.47) CA12CA7CA14CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558137-A2 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2024158872-A1 1,3-INDOLE-PROPANAMIDE INHIBITORS OF SARS-COV-2 PLPRO/NSP3 AND DERIVATIVES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2024-08-02 WO disclosed
WO-2024019916-A2 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed