SCHEMBL29307445

SCHEMBL29307445

C[C@@H]1CCCN(C2CCN(C(=O)N3CCCCCCCC3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 9/20 0.48
▸ L3MBTL3 Q96JM7 5/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MBTD1 Q05BQ5 3/20 0.44

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
SCHEMBL31482179 0.83 ADRA1A (0.50) ADRA1AALDH1A1LMNA
SCHEMBL19658401 0.83 ADRA1A (0.50) ADRA1AALDH1A1LMNA
Hydrochloric Acid SCHEMBL18145297 0.82 ALDH1A1 (0.51) ADRA1AALDH1A1LMNA
SCHEMBL6806463 0.80 L3MBTL3 (0.61) L3MBTL3L3MBTL1ALDH1A1MBTD1
SCHEMBL24244801 0.79 MEN1 (0.48) ADRA1AALDH1A1LMNA
SCHEMBL19652287 0.79 ADRA1A (0.50) ADRA1AALDH1A1LMNA
SCHEMBL19652192 0.79 ADRA1A (0.47) ADRA1AALDH1A1LMNA
SCHEMBL27598275 0.78 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1
SCHEMBL24183616 0.77 HPGD (0.51) ADRA1AALDH1A1
SCHEMBL12243151 0.77 ALDH1A1 (0.61) ALDH1A1

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-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 — — WO disclosed
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