SCHEMBL6211570

SCHEMBL6211570

CC(CCNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.38
HIF1A Q16665 5/20 0.38
EPAS1 Q99814 5/20 0.38
SMYD3 Q9H7B4 2/20 0.37
LMNA P02545 1/20 0.37
CCR5 P51681 3/20 0.36
PPARD Q03181 1/20 0.36
RORC P51449 1/20 0.36
NAMPT P43490 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL6208718 0.94 LMNA (0.42) SMYD3LMNANAMPTCHRM4
SCHEMBL6275935 0.92 NAMPT (0.41) SLC6A5SMYD3LMNACCR5PPARD
SCHEMBL6209450 0.90 CXCR3 (0.43) SMYD3LMNACCR5NAMPTCHRM4
SCHEMBL6211038 0.90 CTSK (0.41) SMYD3LMNA
SCHEMBL6212257 0.90 POLB (0.40) SMYD3LMNACCR5NAMPTCHRM4
SCHEMBL6212884 0.90 LMNA (0.37) SMYD3LMNACHRM4
SCHEMBL6211403 0.90 NAMPT (0.37) SLC6A5SMYD3LMNACCR5RORC
SCHEMBL6213867 0.89 CHRM4 (0.40) SMYD3LMNACCR5CHRM4
SCHEMBL6209295 0.89 CTSK (0.37) SMYD3LMNA
SCHEMBL6210489 0.89 CHRM4 (0.39) SMYD3LMNACHRM4

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed