SCHEMBL22330429

SCHEMBL22330429

BCC(=O)NCCNC(=O)C[C@@H](CN)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.51
CACNA1C Q13936 2/20 0.51
CACNB3 P54284 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
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PSMB5 P28074 1/20 0.33
ANPEP P15144 3/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 2/20 0.32
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22330370 0.84 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL18103110 0.84 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL8348737 0.78 CACNA2D1 (0.49) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL22330427 0.75 CAPN1 (0.40) KMT2A
SCHEMBL2013100 0.74 KMT2A (0.57) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL18100237 0.73 CACNA2D1 (0.42) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL14060326 0.73 CNR1 (0.56) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL14060328 0.73 CNR1 (0.56) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL14060325 0.73 CNR1 (0.56) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL18078097 0.73 CACNA2D1 (0.46) CACNA2D1CACNA1CCACNB3PGRADRA1A

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
EP-3265074-B1 PREGABALIN IMMUNOASSAYS ARK DIAGNOSTICS INC (US) 2020-08-12 EP disclosed