SCHEMBL7208087

SCHEMBL7208087

CCCNCCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.54
FFAR1 O14842 1/20 0.54
AR P10275 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
RORC P51449 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49

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
SCHEMBL28787829 0.86 FFAR1 (0.73) FFAR4FFAR1ARHDAC3HDAC4
SCHEMBL7206707 0.84 HDAC1 (0.53) FFAR4FFAR1HDAC3HDAC4HDAC1
SCHEMBL7208126 0.83 ADRB2 (0.54) FFAR4FFAR1ARADRB2ADRB1
SCHEMBL7208101 0.83 PRMT1 (0.62) FFAR4FFAR1ADRB2ADRB1ADRB3
SCHEMBL2472514 0.81 ADRB2 (0.60) FFAR4FFAR1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL4922779 0.80 ADRB2 (0.59) FFAR4FFAR1ADRB2ADRB1ADRB3
SCHEMBL14601685 0.79 MEN1 (0.65) ARHDAC3HDAC4HDAC1HDAC7
SCHEMBL3558002 0.76 HDAC3 (0.60) ARHDAC3HDAC4HDAC1HDAC7
SCHEMBL4445364 0.75 KDM4E (0.58) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL7577535 0.73 CA1 (0.65) FFAR4FFAR1ARHDAC3HDAC4

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-1077935-B1 PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS UPJOHN CO (US) 2003-10-29 EP claimed
EP-1077935-A1 PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2001-02-28 EP claimed
US-6103766-A SUBSTITUTED OR UNSUBSTITUTED PHENYLSULFONAMIDE-PHENYLAMINE DERIVATIVES USEFUL FOR TREATING THE DISORDERS RELATED TO CENTRAL NERVOUS SYSTEM PHARMACIA & UPJOHN COMPANY (US) 2000-08-15 US claimed
WO-1999058499-A1 PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 1999-11-18 WO claimed
EP-1077935-B1 PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS UPJOHN CO (US) 2003-10-29 EP disclosed
EP-1077935-A1 PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2001-02-28 EP disclosed
US-6103766-A SUBSTITUTED OR UNSUBSTITUTED PHENYLSULFONAMIDE-PHENYLAMINE DERIVATIVES USEFUL FOR TREATING THE DISORDERS RELATED TO CENTRAL NERVOUS SYSTEM PHARMACIA & UPJOHN COMPANY (US) 2000-08-15 US disclosed
WO-1999058499-A1 PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 1999-11-18 WO disclosed