SCHEMBL7368232

SCHEMBL7368232

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CPA1 P15085 2/20 0.39
NR4A2 P43354 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
MAPT P10636 1/20 0.37
MME P08473 4/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC1A1 P43005 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1C Q13936 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
SCHEMBL7365108 1.00 RNPEP (0.43) RNPEPSLC7A5CPA1NR4A2ALDH1A1
SCHEMBL244272 0.81 RNPEP (0.52) RNPEPSLC7A5CPA1NR4A2ALDH1A1
SCHEMBL244271 0.81 RNPEP (0.52) RNPEPSLC7A5CPA1NR4A2ALDH1A1
SCHEMBL14890257 0.81 RNPEP (0.52) RNPEPSLC7A5CPA1NR4A2ALDH1A1
SCHEMBL7368688 0.81 RNPEP (0.39) RNPEPSLC7A5CPA1NR4A2ALDH1A1
SCHEMBL8192826 0.81 RNPEP (0.39) RNPEPSLC7A5CPA1NR4A2ALDH1A1
SCHEMBL22383988 0.81 RNPEP (0.39) RNPEPSLC7A5CPA1NR4A2ALDH1A1
SCHEMBL21690141 0.80 RNPEP (0.32) RNPEPSLC7A5CPA1
SCHEMBL12766244 0.80 RNPEP (0.32) RNPEPSLC7A5CPA1
SCHEMBL22383970 0.79 SLC7A5 (0.50) RNPEPSLC7A5CPA1ALDH1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed
EP-0642530-B1 DERIVATIVES OF DOLASTATIN BASF AG (DE) 1998-08-12 EP disclosed
EP-0642530-A1 DERIVATIVES OF DOLASTATIN BASF Aktiengesellschaft (DE) 1995-03-15 EP disclosed