SCHEMBL6894847

SCHEMBL6894847

COc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.69
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PGR P06401 1/20 0.46
HTR2C P28335 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 1/20 0.46
ASF1A Q9Y294 1/20 0.46
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL6893836 0.93 MCHR1 (0.59) MCHR1RAB9AMEN1KMT2APGR
SCHEMBL6899670 0.91 MCHR1 (0.58) MCHR1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6925626 0.91 MCHR1 (0.68) MCHR1ALDH1A1SMN1; SMN2HTR2CUSP2
SCHEMBL30227430 0.91 MCHR1 (0.68) MCHR1ALDH1A1SMN1; SMN2HTR2CUSP2
SCHEMBL6895305 0.89 MCHR1 (0.57) MCHR1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6918805 0.82 MCHR1 (0.48) MCHR1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6894734 0.82 MCHR1 (0.48) MCHR1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6898988 0.82 MCHR1 (0.49) MCHR1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6894049 0.82 MCHR1 (0.47) MCHR1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6899440 0.80 AQP1 (0.59) MCHR1ALDH1A1USP2LMNAHPGD

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