SCHEMBL6894049

SCHEMBL6894049

COc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1OCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6898988 0.83 MCHR1 (0.49) MCHR1MAPTALDH1A1POLBRAB9A
SCHEMBL6894847 0.82 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTALDH1A1
SCHEMBL6892180 0.81 MEN1 (0.49) MCHR1MEN1KMT2AMAPTALDH1A1
SCHEMBL6900615 0.81 MCHR1 (0.61) MCHR1MEN1KMT2AMAPTALDH1A1
SCHEMBL6900622 0.81 MEN1 (0.51) MCHR1MEN1KMT2AMAPTALDH1A1
SCHEMBL6893836 0.79 MCHR1 (0.59) MCHR1MEN1KMT2APOLBRAB9A
SCHEMBL6899670 0.77 MCHR1 (0.58) MCHR1MAPTALDH1A1LMNARAB9A
SCHEMBL6925626 0.77 MCHR1 (0.68) MCHR1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL30227430 0.77 MCHR1 (0.68) MCHR1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6895305 0.75 MCHR1 (0.57) MCHR1MAPTALDH1A1LMNARAB9A

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