SCHEMBL9105209

SCHEMBL9105209

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.52
CACNB3 P54284 1/20 0.52
CACNA1C Q13936 1/20 0.52
PGR P06401 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
CACNA2D2 Q9NY47 1/20 0.52
SLC7A5 Q01650 1/20 0.42
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
ANPEP P15144 4/20 0.36
LAP3 P28838 4/20 0.36
ERAP1 Q9NZ08 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CA2 P00918 1/20 0.35
ECE1 P42892 1/20 0.33

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
SCHEMBL4659755 0.95 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8829767 0.91 CACNA2D1 (0.67) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL664076 0.91 CACNA2D1 (0.67) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL664033 0.91 CACNA2D1 (0.67) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13417428 0.91 ALDH1A1 (0.48) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL10054696 0.91 ALDH1A1 (0.48) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL664074 0.91 CACNA2D1 (0.67) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2693051 0.88 CACNA2D1 (0.69) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13978560 0.88 CACNA2D1 (0.69) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13855467 0.88 CACNA2D1 (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268037-A Asymmetric synthesis of - (+) -3- (aminomethyl) -5-methylhexanoic acid TEVA PHARMA (IL) 2008-09-17 CN claimed
CN-114164198-B (R) - (-) -3- (carbamoylmethyl) -5-methylhexanoic acid synthetic protein, mutant and application thereof 中国科学院微生物研究所 2025-01-07 CN disclosed
CN-110128293-B Medical intermediate impurity and preparation method and application thereof 武汉武药制药有限公司 2022-06-17 CN disclosed
CN-111747862-A Method for recovering pregabalin intermediate 3-isobutyl glutaric acid monoamide 浙江华海药业股份有限公司 2020-10-09 CN disclosed
EP-2916832-B1 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LTD (IN) 2019-01-16 EP disclosed
CN-102753702-B Process for preparing optically active 3-substituted glutaric acid monoamides KANEKA CORP 2015-02-11 CN disclosed
EP-1841726-B1 AN ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID TEVA PHARMA (IL) 2012-10-31 EP disclosed
CN-102753702-A Process for preparing optically active 3-substituted glutaric acid monoamides KANEKA CORP 2012-10-24 CN disclosed
EP-2460885-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED GLUTARIC ACID MONOAMIDE Kaneka Corporation (JP) 2012-06-06 EP disclosed
WO-2009001372-A2 A NOVEL PROCESS FOR THE PREPARATION OF PREGABALIN SATYANARAYANA REDDY MANNE (IN) 2008-12-31 WO disclosed
CN-101268037-A Asymmetric synthesis of - (+) -3- (aminomethyl) -5-methylhexanoic acid TEVA PHARMA (IL) 2008-09-17 CN disclosed