SCHEMBL11909491

SCHEMBL11909491

CC(C)C[C@H](NN)[C@@H](O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.46
▸ CACNB3 P54284 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ CACNA2D2 Q9NY47 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.38
▸ CTSD P07339 3/20 0.37
▸ MME P08473 2/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ GABRR1 P24046 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL30442889 0.84 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2695428 0.84 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29885722 0.82 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30514189 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30192411 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30373955 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL31003023 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30536450 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30395496 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29729174 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249800-A Preparation method of pamoic acid polypeptide drug 深圳市星银医药有限公司 2022-03-29 — — CN disclosed
EP-2673287-B1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-08-30 — — EP disclosed
EP-2673287-A1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2013-12-18 — — EP disclosed
WO-2012107153-A1 AMINO STATIN DERIVATIVESFOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2012-08-16 — — WO disclosed
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