SCHEMBL9079271

SCHEMBL9079271

CC(=O)Nc1ccc(C(=O)C2CCN(CC(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
GRIN2B Q13224 1/20 0.46
GAA P10253 1/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL9444257 0.93 KCNH2 (0.60) KCNH2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL8958724 0.88 SMN1; SMN2 (0.63) KCNH2CYP3A4CYP2D6CYP2C19POLB
Hydrochloric Acid SCHEMBL9077240 0.87 KCNH2 (0.56) KCNH2CYP3A4CYP2D6CYP2C19POLB
Hydrochloric Acid SCHEMBL9077228 0.87 KCNH2 (0.56) KCNH2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL9077354 0.86 KCNH2 (0.56) KCNH2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL8958804 0.85 SMN1; SMN2 (0.72) CYP2D6CYP2C19POLBLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9227219 0.85 KCNH2 (0.56) KCNH2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL9090842 0.84 KCNH2 (0.54) KCNH2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL9444451 0.84 KCNH2 (0.60) KCNH2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL9077025 0.83 KCNH2 (0.50) KCNH2CYP3A4CYP2D6CYP2C19POLB

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-0532629-A4 1994-03-09 EP claimed
EP-0532629-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES. MERRELL DOW PHARMA (US) 1993-03-24 EP claimed
WO-1991018603-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO claimed
EP-0532629-B1 1-PIPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL PHARMA INC (US) 1996-11-06 EP disclosed
US-5478846-A 1-piperidinyl alkanoylanyl sulfonamides for treatment of cardiac arrhythmia MERRELL DOW PHARMACEUTICALS INC. (US) 1995-12-26 US disclosed
EP-0532629-A4 1994-03-09 EP disclosed
EP-0532629-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
WO-1991018603-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed