SCHEMBL6185847

SCHEMBL6185847

CCOC(=O)C1(Cc2cccc(Cl)c2)CCNC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.52
SSTR1 P30872 1/20 0.47
SSTR4 P31391 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL6190022 0.93 L3MBTL1 (0.60) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL2637137 0.78 KDM4E (0.56) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL8407276 0.78 KDM4E (0.56) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL16660444 0.78 POLB (0.62) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL962133 0.77 OPRM1 (0.62) L3MBTL1MEN1KMT2AALDH1A1NPC1
Cadaverine Tartrate SCHEMBL27494138 0.77 KDM4E (0.50) L3MBTL1MEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL8580878 0.77 KDM4E (0.55) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL8184329 0.74 KMT2A (0.54) L3MBTL1MEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL7841617 0.73 LMNA (0.43) L3MBTL1MEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL7841619 0.73 KMT2A (0.44) L3MBTL1MEN1KMT2AALDH1A1NPC1

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
EP-1441718-A4 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC (US) 2005-08-17 EP disclosed
EP-1441718-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION Endo Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
WO-2003032910-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC. (US) 2003-04-24 WO disclosed