SCHEMBL28634725

SCHEMBL28634725

CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.61
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GPR119 Q8TDV5 17/20 0.53

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
SCHEMBL28628584 0.85 USP30 (0.67) USP30GPR119
SCHEMBL27214747 0.85 ALDH1A1 (0.56) USP30ALDH1A1LMNAMAPTKMT2A
SCHEMBL27178727 0.84 ALDH1A1 (0.60) USP30ALDH1A1LMNAMAPTMEN1
SCHEMBL28632797 0.84 MEN1 (0.67) USP30MEN1KMT2AGPR119
SCHEMBL9943184 0.83 USP30 (0.75) USP30MEN1KMT2AGPR119
SCHEMBL28639701 0.83 GPR119 (0.75) USP30GPR119
SCHEMBL28651657 0.83 USP30 (0.64) USP30MEN1KMT2AGPR119
SCHEMBL28651615 0.83 GPR119 (0.74) USP30ALDH1A1MEN1KMT2AGPR119
SCHEMBL17572993 0.83 USP30 (0.67) USP30GPR119
SCHEMBL3036553 0.82 USP30 (0.64) USP30MEN1KMT2AGPR119

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
CN-109734700-B SMO inhibitor containing benzoyl piperidine structure and preparation method and application thereof 中国药科大学 2021-09-28 CN disclosed