SCHEMBL17090544

SCHEMBL17090544

Cc1cc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)c(C)c(C(=O)NC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
PTGER4 P35408 2/20 0.36
NR3C1 P04150 2/20 0.36
NPY5R Q15761 10/20 0.35
CRHR1 P34998 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIA2 P42262 1/20 0.32

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
SCHEMBL13439238 0.84 MAPK14 (0.39) MAPK14PTGER4NPY5RCRHR1GRIA2
SCHEMBL11935496 0.84 MAPK14 (0.39) MAPK14PTGER4NPY5RCRHR1GRIA2
SCHEMBL13439240 0.83 PTGER4 (0.43) MAPK14PTGER4CRHR1L3MBTL1
SCHEMBL11935497 0.83 PTGER4 (0.43) MAPK14PTGER4CRHR1L3MBTL1
SCHEMBL10114945 0.82 BRD4 (0.38) NR3C1L3MBTL1KMT2AGRIA2
SCHEMBL13204428 0.82 BRD4 (0.38) NR3C1L3MBTL1KMT2AGRIA2
SCHEMBL13439181 0.80 CREBBP (0.40) MAPK14NR3C1NPY5RCRHR1L3MBTL1
SCHEMBL11935446 0.80 CREBBP (0.40) MAPK14NR3C1NPY5RCRHR1L3MBTL1
SCHEMBL13439247 0.80 MAPK14 (0.48) MAPK14PTGER4NR3C1NPY5RL3MBTL1
SCHEMBL10116138 0.79 CCR8 (0.43) L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed