SCHEMBL6928043

SCHEMBL6928043

CC(C)N(CCOc1cccc(NC(=O)c2cccc(I)c2)c1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
MCHR1 Q99705 9/20 0.57
NR1H4 Q96RI1 5/20 0.54
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL6925850 0.90 MCHR1 (0.67) THRBMCHR1NR1H4KMT2A
SCHEMBL6925696 0.86 THRB (0.62) THRBNR1H4KDM1AMAOBPKM
SCHEMBL6926029 0.83 MCHR1 (0.55) MCHR1KMT2ASMN1; SMN2
SCHEMBL6603858 0.83 MCHR1 (0.71) MCHR1
SCHEMBL6925375 0.83 MCHR1 (0.78) MCHR1KDM1AMAOB
SCHEMBL6899772 0.83 MCHR1 (0.73) THRBMCHR1NR1H4KDM1AMAOB
SCHEMBL6926100 0.80 MCHR1 (0.64) THRBMCHR1SMN1; SMN2
SCHEMBL6811436 0.77 MCHR1 (0.75) MCHR1KMT2A
SCHEMBL16779951 0.77 RXFP1 (0.81) PKMHTTKMT2ASMN1; SMN2RXFP1
SCHEMBL6925931 0.77 MCHR1 (0.67) THRBMCHR1KMT2ASMN1; SMN2

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
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed