SCHEMBL6602070

SCHEMBL6602070

COc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.67
HTR2C P28335 1/20 0.66
SLC2A1 P11166 1/20 0.56
MAPT P10636 2/20 0.52
WNT3A P56704 1/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL6604593 0.87 MCHR1 (0.57) MCHR1HTR2CMAPTWNT3ATP53
SCHEMBL6927129 0.84 MCHR1 (0.93) MCHR1HTR2CSLC2A1
SCHEMBL6926340 0.84 MCHR1 (0.92) MCHR1HTR2CSLC2A1
SCHEMBL6925443 0.83 MCHR1 (0.81) MCHR1HTR2CSLC2A1
SCHEMBL6927964 0.82 MCHR1 (0.69) MCHR1HTR2CSLC2A1
SCHEMBL6605517 0.82 KMT2A (0.68) MCHR1HTR2CMAPTTP53SMN1; SMN2
SCHEMBL6930454 0.81 MCHR1 (0.81) MCHR1HTR2CSLC2A1MAPT
SCHEMBL6926020 0.81 MCHR1 (0.80) MCHR1HTR2CSLC2A1
SCHEMBL6602805 0.80 MCHR1 (0.62) MCHR1HTR2CSLC2A1
SCHEMBL6609564 0.80 MCHR1 (0.73) 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 7 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 claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
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