SCHEMBL6897983

SCHEMBL6897983

CC(C)N(CCOc1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.71
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.52
CACNA1H O95180 1/20 0.51
CACNA1B Q00975 1/20 0.51
PYGM P11217 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HTR2C P28335 1/20 0.49

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
SCHEMBL6900340 0.90 MCHR1 (0.68) MCHR1MEN1KMT2ACACNA1HCACNA1B
SCHEMBL7051105 0.86 MEN1 (0.58) MCHR1MEN1KMT2ATSHRCACNA1H
SCHEMBL6926029 0.86 MCHR1 (0.55) MCHR1MEN1KMT2ATSHRNPC1
SCHEMBL6897990 0.85 MCHR1 (0.53) MCHR1MEN1KMT2ATSHRCACNA1H
SCHEMBL6922307 0.85 MCHR1 (0.54) MCHR1MEN1KMT2ATSHRNPC1
SCHEMBL6811436 0.84 MCHR1 (0.75) MCHR1MEN1KMT2ACASP3SENP8
SCHEMBL6892159 0.83 MCHR1 (0.93) MCHR1MEN1KMT2ACASP3SENP8
SCHEMBL6926500 0.81 MCHR1 (0.69) MCHR1CACNA1HCACNA1BHTR2C
SCHEMBL6927041 0.80 MCHR1 (0.55) MCHR1MEN1KMT2ACACNA1HCACNA1B
SCHEMBL6898482 0.80 MCHR1 (0.68) MCHR1CACNA1HCACNA1BHTR2C

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-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