SCHEMBL6603020

SCHEMBL6603020

COc1ccc(NC(=O)c2cncc(-n3cccc3)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.58
HTR2C P28335 1/20 0.58
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
SLC2A1 P11166 1/20 0.46

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
SCHEMBL6602556 0.88 CHRNB4 (0.51) MCHR1HTR2CCHRNB4CHRNA3
SCHEMBL6603095 0.84 MCHR1 (0.60) MCHR1HTR2C
SCHEMBL6606152 0.83 MCHR1 (0.65) MCHR1HTR2C
SCHEMBL6602549 0.81 MCHR1 (0.59) MCHR1HTR2CSLC2A1
SCHEMBL6925443 0.81 MCHR1 (0.81) MCHR1HTR2CSLC2A1
SCHEMBL6926161 0.78 MCHR1 (0.76) MCHR1HTR2C
SCHEMBL6604490 0.78 MCHR1 (0.64) MCHR1HTR2C
SCHEMBL6602562 0.78 MCHR1 (0.75) MCHR1HTR2CSLC2A1
SCHEMBL6605150 0.78 MCHR1 (0.75) MCHR1HTR2CSLC2A1
SCHEMBL6898082 0.78 MCHR1 (0.78) MCHR1HTR2CSLC2A1

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-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed