SCHEMBL6208915

SCHEMBL6208915

CC(CCNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.39
CCR5 P51681 4/20 0.37
GAA P10253 1/20 0.36
CTSK P43235 1/20 0.36
TSHR P16473 1/20 0.36
MCHR1 Q99705 1/20 0.35
DPP4 P27487 2/20 0.35
CHRM4 P08173 1/20 0.35
NAMPT P43490 3/20 0.34
RAB9A P51151 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
SCHEMBL6210120 0.92 GAA (0.38) GAACTSKTSHRDPP4NAMPT
SCHEMBL6213495 0.92 GAA (0.37) GAACTSKTSHRNAMPTRAB9A
SCHEMBL6210303 0.90 NPC1 (0.47) GAATSHRRAB9A
SCHEMBL6212682 0.90 MAPK14 (0.42) GAATSHRCHRM4RAB9A
SCHEMBL6211626 0.89 CCR5 (0.38) RORCCCR5CTSKDPP4CHRM4
SCHEMBL6212649 0.89 NPC1 (0.40) GAATSHRMCHR1NAMPT
SCHEMBL6210338 0.87 DPP4 (0.46) RORCGAATSHRDPP4NAMPT
SCHEMBL6211570 0.87 SLC6A5 (0.38) RORCCCR5CHRM4NAMPT
SCHEMBL6210763 0.86 ROCK2 (0.36) GAATSHRNAMPTRAB9A
SCHEMBL6210543 0.83 CTSK (0.44) RORCCCR5CTSKDPP4CHRM4

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