Propane

Propane

SCHEMBL7206693

CCC.NCCc1cccc(NS(=O)(=O)c2ccccc2F)c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.64
KAT6A Q92794 2/20 0.49
ALDH1A1 P00352 3/20 0.48
GHSR Q92847 1/20 0.47
NR1I2 O75469 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL7206689 0.86 HTR6 (0.63) HTR6KAT6AALDH1A1GHSRNR1I2
SCHEMBL7206683 0.84 HTR6 (0.51) HTR6KAT6AALDH1A1NR1I2POLB
SCHEMBL3560333 0.79 PTK2B (0.60) HTR6KAT6AALDH1A1POLBMEN1
SCHEMBL3563292 0.78 PTK2B (0.58) HTR6KAT6AALDH1A1NR1I2MEN1
SCHEMBL12569386 0.78 HTR6 (0.64) HTR6GHSRSMN1; SMN2
SCHEMBL30737485 0.76 HTR6 (0.62) HTR6ALDH1A1POLBPKMMEN1
SCHEMBL28271803 0.76 HTR6 (0.62) HTR6ALDH1A1POLBPKMMEN1
SCHEMBL3554621 0.76 PTK2B (0.50) HTR6KAT6AALDH1A1NR1I2MEN1
SCHEMBL4370201 0.76 HTR6 (0.66) HTR6ALDH1A1GHSRPOLBSMN1; SMN2
Propane SCHEMBL7213474 0.76 HTR6 (0.70) HTR6ALDH1A1GHSRPKM

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 4 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
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
EP-1077935-B1 PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS UPJOHN CO (US) 2003-10-29 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