SCHEMBL6924013

SCHEMBL6924013

COc1ccc(NC(=O)c2cccc(Br)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.71
HTR2C P28335 1/20 0.65
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SLC2A1 P11166 1/20 0.50

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
SCHEMBL6926745 0.89 MCHR1 (0.71) MCHR1HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6925443 0.89 MCHR1 (0.81) MCHR1HTR2CSLC2A1
SCHEMBL6603858 0.88 MCHR1 (0.71) MCHR1HTR2CSLC2A1
SCHEMBL6923947 0.88 MCHR1 (0.66) MCHR1HTR2C
SCHEMBL6927129 0.87 MCHR1 (0.93) MCHR1HTR2CSLC2A1
SCHEMBL6894756 0.87 MCHR1 (0.76) MCHR1HTR2CSLC2A1
SCHEMBL6603095 0.86 MCHR1 (0.60) MCHR1HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6892159 0.85 MCHR1 (0.93) MCHR1HTR2CCASP3SENP8SENP7
SCHEMBL6898082 0.85 MCHR1 (0.78) MCHR1HTR2CSLC2A1
SCHEMBL6925931 0.84 MCHR1 (0.67) MCHR1HTR2CNPC1CASP3RAB9A

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