SCHEMBL20097532

SCHEMBL20097532

CCCCOC(=O)C[C@@H](CN)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.51
CACNB3 P54284 1/20 0.51
CACNA1C Q13936 1/20 0.51
PGR P06401 1/20 0.51
ADRA1A P35348 1/20 0.51
HTR2B P41595 1/20 0.51
CACNA2D2 Q9NY47 1/20 0.51
ATM Q13315 1/20 0.42
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
DGKA P23743 1/20 0.37
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36

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
Hydrochloric Acid SCHEMBL30512140 0.89 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27560470 0.87 ATM (0.44) ATMNAAAHTR2CALDH1A1NPSR1
SCHEMBL27873998 0.86 ATM (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30618484 0.84 DGKA (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4889294 0.83 NAAA (0.56) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL7980052 0.83 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL15698640 0.83 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30512138 0.82 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL30695404 0.81 CACNA2D1 (0.56) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL25375463 0.81 CACNA2D1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9958464-B2 Pregabalin immunoassays ARK DIAGNOSTICS, INC. (US) 2018-05-01 US disclosed