SCHEMBL5190804

SCHEMBL5190804

CC(CNC(=O)c1ccc2[nH]ccc2c1)CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
EPHX2 P34913 3/20 0.49
PPARG P37231 2/20 0.49
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CTNNB1 P35222 2/20 0.43

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
SCHEMBL9480345 0.83 TAS1R3 (0.60) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL6674949 0.82 TAS1R3 (0.56) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL8535075 0.81 HDAC1 (0.55) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL8532136 0.76 HDAC1 (0.59) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL9670430 0.76 HDAC1 (0.59) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL14273732 0.76 HDAC1 (0.55) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL13295906 0.74 HDAC1 (0.60) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL10272693 0.74 HDAC1 (0.63) TAS1R3TAS1R1EPHX2PPARGHDAC1
SCHEMBL8514379 0.74 TAS1R3 (0.68) TAS1R3TAS1R1HDAC1HDAC2HDAC6
SCHEMBL7218629 0.74 HDAC1 (0.59) TAS1R3TAS1R1EPHX2PPARGHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761279-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-03-14 EP disclosed
EP-1761280-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-03-14 EP disclosed
WO-2005115462-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115465-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP disclosed