Propane

Propane

SCHEMBL7208561

CCC.NCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
FFAR4 Q5NUL3 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.51
UCHL1 P09936 1/20 0.50
FFAR1 O14842 1/20 0.50
GHSR Q92847 1/20 0.50
RORC P51449 1/20 0.48
KIF11 P52732 1/20 0.48

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
SCHEMBL7208558 0.87 FFAR4 (0.53) HTR6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7206707 0.83 HDAC1 (0.53) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3559870 0.80 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7
Propane SCHEMBL7208109 0.79 HTR6 (0.67) HTR6HDAC1HDAC8HDAC3HDAC4
Propane SCHEMBL7213022 0.79 HTR6 (0.67) HTR6FFAR4SMN1; SMN2UCHL1FFAR1
SCHEMBL26530291 0.79 GAA (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6756075 0.79 FFAR4 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14601690 0.79 FFAR4 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL28913958 0.79 KIF11 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7258961 0.77 HTR6 (0.72) HTR6GHSRMAPT

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