SCHEMBL4606333

SCHEMBL4606333

CC(C)C(C)CC(N)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.76
ALOX15 P16050 2/20 0.76
TSHR P16473 2/20 0.76
TP53 P04637 1/20 0.76
SLC6A4 P31645 18/20 0.71
SLC6A3 Q01959 17/20 0.71
SLC6A2 P23975 8/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
HTR2A P28223 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52

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
Hydrochloric Acid SCHEMBL6419503 0.98 CYP3A4 (0.78) CYP3A4ALOX15TSHRTP53SLC6A4
Hydrochloric Acid SCHEMBL8008081 0.97 CYP3A4 (0.76) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL682189 0.88 CYP3A4 (0.97) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL2379467 0.88 CYP3A4 (0.97) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL2378403 0.88 CYP3A4 (0.97) CYP3A4ALOX15TSHRTP53SLC6A4
Hydrochloric Acid SCHEMBL2105 0.86 CYP3A4 (1.00) CYP3A4ALOX15TSHRTP53SLC6A4
Water SCHEMBL10423764 0.86 CYP3A4 (0.94) CYP3A4ALOX15TSHRTP53SLC6A4
Hydrochloric Acid SCHEMBL10336934 0.85 CYP3A4 (0.97) CYP3A4ALOX15TSHRTP53SLC6A4
SCHEMBL3517972 0.83 SLC6A4 (1.00) CYP3A4ALOX15TSHRTP53SLC6A4
Hydrochloric Acid SCHEMBL6476842 0.83 SLC6A4 (0.71) CYP3A4ALOX15TSHRTP53SLC6A4

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230742-B1 N,N-dimethyl-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride monohydrate and pharmaceutical compositions containing it The Boots Company PLC (GB) 1990-09-26 EP claimed
EP-1178789-B1 METHOD OF TREATING EATING DISORDERS ABBOTT GMBH & CO KG (DE) 2008-07-16 EP disclosed
EP-1169029-B1 Use of sibutramine or its derivative for the treatment of sleep disorders ABBOTT GMBH & CO KG (DE) 2005-05-04 EP disclosed
EP-1169027-A4 TREATMENT OF OSTEOARTHRITIS ABBOTT GMBH & CO KG (DE) 2004-10-20 EP disclosed
EP-1178789-A4 METHOD OF TREATING EATING DISORDERS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
EP-1169029-A4 METHOD OF TREATING SLEEP APNOEA ABBOTT GMBH & CO KG (DE) 2004-01-21 EP disclosed
EP-1169029-A4 METHOD OF TREATING SLEEP APNOEA ABBOTT GMBH & CO KG (DE) 2004-01-21 EP disclosed
EP-1162966-A4 WEIGHT LOSS AFTER PREGNANCY KNOLL GMBH (DE) 2002-06-12 EP disclosed
EP-1162966-A4 WEIGHT LOSS AFTER PREGNANCY KNOLL GMBH (DE) 2002-06-12 EP disclosed
EP-1165060-A4 TREATMENT OF GALLSTONES KNOLL GMBH (DE) 2002-06-12 EP disclosed
WO-2000056318-A1 TREATMENT OF NEUROPATHIC PAIN OR FIBROMYALGIA KNOLL PHARMACEUTICAL COMPANY (US) 2000-09-28 WO disclosed
WO-2000056321-A1 TREATMENT OF HYPERACTIVITY DISORDERS KNOLL PHARMACEUTICAL COMPANY (US) 2000-09-28 WO disclosed
WO-2000056319-A1 TREATMENT OF ORTHOSTATIC HYPOTENSION KNOLL PHARMACEUTICAL COMPANY (US) 2000-09-28 WO disclosed
WO-2000056317-A1 WEIGHT LOSS AFTER PREGNANCY KNOLL GMBH (DE) 2000-09-28 WO disclosed
WO-2000056307-A1 TREATMENT OF HIATIAL HERNIA KNOLL GMBH (DE) 2000-09-28 WO disclosed
WO-2000056313-A1 METHOD OF CONTROLLING WEIGHT GAIN ASSOCIATED WITH THERAPEUTIC DRUGS KNOLL GMBH (DE) 2000-09-28 WO disclosed
WO-2000054765-A1 METHOD OF TREATING EATING DISORDERS KNOLL GMBH (DE) 2000-09-21 WO disclosed
EP-0814788-A4 IMPROVING GLUCOSE TOLERANCE BOOTS PHARMA INC (US) 1999-05-06 EP disclosed
EP-0814788-A1 IMPROVING GLUCOSE TOLERANCE BOOTS PHARMACEUTICALS INC. (US) 1998-01-07 EP disclosed
EP-0339280-A2 Use of N,N-dimethyl-1-(1-(4-chlorophenyl)cyclobutyl)-3-methylbutylamine for treatment of cerebral disorders The Boots Company PLC (GB) 1989-11-02 EP disclosed