SCHEMBL7364310

SCHEMBL7364310

CC(C)CC(NCC1CCN(C)CC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
CPA1 P15085 1/20 0.36
FOLH1 Q04609 2/20 0.36
ACE P12821 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
NCF1 P14598 1/20 0.34
LAP3 P28838 2/20 0.34

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
SCHEMBL7043148 0.83 BCHE (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7368780 0.83 BCHE (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7372711 0.78 GAA (0.44) ALDH1A1KMT2AMEN1LMNAGRN
SCHEMBL7368844 0.78 KMT2A (0.40) ALDH1A1KMT2AMEN1LMNAGRN
SCHEMBL23848106 0.73 NCF1 (0.43) KMT2AMEN1MAPTNCF1
SCHEMBL105743 0.73 NCF1 (0.46) KMT2AMEN1NCF1
SCHEMBL10901967 0.72 XPNPEP1 (0.44) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL28461929 0.71 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNAGRN
SCHEMBL28461928 0.71 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNAGRN
SCHEMBL22519427 0.70 SMN1; SMN2 (0.49) ALDH1A1MAPTGAANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed