SCHEMBL21436746

SCHEMBL21436746

CC(C)CC(C(C#N)C(=O)O)C(C#N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
ALDH1A1 P00352 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
CPA1 P15085 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 2/20 0.33
CTSS P25774 1/20 0.33
CACNA2D1 P54289 2/20 0.32
MAPT P10636 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

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
SCHEMBL27889840 0.91 SLC7A5 (0.39) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL24300530 0.83 RNPEP (0.41) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL27906379 0.81 SLC7A5 (0.35) RNPEPSLC7A5SLC1A3SLC1A2CTSK
SCHEMBL15280 0.77 RNPEP (0.44) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL658967 0.74
SCHEMBL28654671 0.72 ALDH1A1 (0.33) ALDH1A1SLC1A3SLC1A2MEN1LMNA
SCHEMBL9823595 0.72 TP53 (0.36) RNPEPSLC7A5
SCHEMBL3812223 0.72
SCHEMBL5183618 0.72
SCHEMBL7706976 0.70 TP53 (0.35) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019193607-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-10-10 WO claimed
WO-2019193607-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-10-10 WO disclosed
WO-2019193607-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-10-10 WO disclosed