SCHEMBL6190022

SCHEMBL6190022

CCOC(=O)C1(Cc2cccc(Cl)c2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.54
SSTR1 P30872 1/20 0.48
SSTR4 P31391 1/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL6185847 0.93 L3MBTL1 (0.58) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL16660444 0.85 POLB (0.62) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL962133 0.84 OPRM1 (0.62) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL8184329 0.81 KMT2A (0.54) L3MBTL1MEN1KMT2AALDH1A1POLB
SCHEMBL13278520 0.79 OPRM1 (0.51) MEN1KMT2AALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL7841619 0.79 KMT2A (0.44) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL13278418 0.78 MAPT (0.59) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL16111685 0.78 OPRM1 (0.56) MEN1KMT2AALDH1A1LMNAOPRM1
Hydrochloric Acid SCHEMBL7841617 0.77 LMNA (0.43) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL13278434 0.77 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBMAPT

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