SCHEMBL1683002

SCHEMBL1683002

COC(=O)C(Cc1ccccc1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NPC1 O15118 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
SCHEMBL22916606 0.87 RAB9A (0.56) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL11093075 0.86 NPC1 (0.48) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL19037806 0.86 LMNA (0.49) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL9098748 0.85 RAB9A (0.54) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL23030412 0.84 ALDH1A1 (0.52) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL28719745 0.84 ALDH1A1 (0.52) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL3191795 0.84 NPC1 (0.46) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL3191801 0.84 NPC1 (0.46) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL27910314 0.83 RAB9A (0.69) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL4143905 0.83 LMNA (0.71) RAB9ALMNAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073662-A1 COMBINATION OF A BENZOXAZINONE AND A FURTHER AGENT FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-06-23 WO disclosed
EP-2303266-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2011-04-06 EP disclosed
WO-2010004319-A1 COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
WO-2009154554-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2009-12-23 WO disclosed