SCHEMBL2016861

SCHEMBL2016861

CC(=O)Nc1ccc(F)cc1OC[C@H](O)CNC1CCN(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.73
CCR1 P32246 8/20 0.52
LMNA P02545 1/20 0.44
CCR3 P51677 7/20 0.44
KCNH2 Q12809 1/20 0.44
CCR2 P41597 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL1949177 1.00 ABCB11 (0.73) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL30172129 1.00 ABCB11 (0.73) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL1950911 1.00 ABCB11 (0.73) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL1950910 1.00 ABCB11 (0.73) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL1683051 1.00 ABCB11 (0.73) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL3813054 0.95 ABCB11 (0.81) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL3813060 0.95 ABCB11 (0.81) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL3813533 0.95 ABCB11 (0.81) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL3809872 0.91 ABCB11 (0.73) ABCB11CCR1LMNACCR3KCNH2
SCHEMBL3809868 0.91 ABCB11 (0.73) ABCB11CCR1LMNACCR3KCNH2

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 9 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
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-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-2009142588-A1 COMBINATION OF (A) A CHEMOKINE RECEPTOR 1 (CCR1) ANTAGONIST AND (B) GLUCOCORTICOID RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
WO-2008096121-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed