SCHEMBL1726440

SCHEMBL1726440

COc1cc(-c2nc(SCc3ccc(Cl)cc3)cc(=O)[nH]2)ccc1OCC(C)(C)OC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
LMNA P02545 3/20 0.38
SCN9A Q15858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
AMY1A P0DUB6 1/20 0.36
PTGES O14684 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
MPO P05164 1/20 0.34

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
Hydrochloric Acid SCHEMBL1721867 0.88 MCHR1 (0.43) MCHR1LMNASCN9ANPSR1AMY1A
SCHEMBL9989229 0.80 MCHR1 (0.54) MCHR1LMNASMN1; SMN2MAPT
SCHEMBL2387820 0.71 MCHR1 (0.47) MCHR1
SCHEMBL1727614 0.71 JAK1 (0.34) MCHR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12257858 0.70 MCHR1 (0.72) MCHR1
SCHEMBL9995127 0.69 MCHR1 (0.54) MCHR1LMNASMN1; SMN2MAPTPOLB
SCHEMBL2171507 0.69 KDM4E (0.43) MEN1KMT2AMAPT
SCHEMBL1144636 0.69 MCHR1 (0.49) MCHR1
SCHEMBL12043438 0.68 MCHR1 (0.57) MCHR1
Hydrochloric Acid SCHEMBL9988998 0.68 MCHR1 (0.57) MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406233-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2012-01-18 EP disclosed
WO-2010104818-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-16 WO disclosed