SCHEMBL6893836

SCHEMBL6893836

COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1OCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
PGR P06401 2/20 0.47
HTR2A P28223 3/20 0.45
HTR2C P28335 2/20 0.45
KCNH2 Q12809 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
SETD7 Q8WTS6 1/20 0.44
AR P10275 2/20 0.44
RAB9A P51151 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
SCHEMBL6894847 0.93 MCHR1 (0.69) MCHR1MEN1KMT2APGRHTR2C
SCHEMBL6899670 0.88 MCHR1 (0.58) MCHR1HTR2CRAB9A
SCHEMBL30227430 0.86 MCHR1 (0.68) MCHR1HTR2C
SCHEMBL6925626 0.86 MCHR1 (0.68) MCHR1HTR2C
SCHEMBL6895305 0.84 MCHR1 (0.57) MCHR1CASP3SENP7HTR2CRAB9A
SCHEMBL6894049 0.79 MCHR1 (0.47) MCHR1MEN1KMT2APOLBCYP3A4
SCHEMBL6899440 0.78 AQP1 (0.59) MCHR1
SCHEMBL6893838 0.78 MCHR1 (0.72) MCHR1MEN1KMT2ACASP3SENP8
SCHEMBL6918805 0.78 MCHR1 (0.48) MCHR1HTR2CRAB9A
SCHEMBL6892159 0.78 MCHR1 (0.93) MCHR1MEN1KMT2ACASP3SENP8

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 9 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-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed