SCHEMBL6892155

SCHEMBL6892155

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA9 Q16790 2/20 0.53
HTR2C P28335 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.47
PRMT1 Q99873 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6898477 0.92 MCHR1 (0.63) MCHR1HTR2CHPGD
SCHEMBL6892149 0.88 MCHR1 (0.65) MCHR1HTR2CALDH1A1SMN1; SMN2HPGD
SCHEMBL6899668 0.84 CA12 (0.52) CA12CA1CA9ALDH1A1SMN1; SMN2
SCHEMBL6604498 0.82 MCHR1 (0.55) MCHR1HTR2CALDH1A1SMN1; SMN2HTT
SCHEMBL6921907 0.82 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6898088 0.82 MCHR1 (0.67) MCHR1HTR2CALDH1A1SMN1; SMN2NPC1
SCHEMBL6896989 0.82 MCHR1 (0.67) MCHR1HTR2CALDH1A1SMN1; SMN2NPC1
SCHEMBL6900622 0.81 MEN1 (0.51) MCHR1ALDH1A1RAB9A
SCHEMBL6899096 0.80 MCHR1 (0.70) MCHR1HTR2C
SCHEMBL6602569 0.80 MCHR1 (0.65) MCHR1HTR2CALDH1A1HPGDTP53

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-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP claimed
JP-2002521436-A 2002-07-16 JP claimed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO claimed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed