SCHEMBL6259166

SCHEMBL6259166

O=C(NCCCCC(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM4 P08173 2/20 0.41
PTAFR P25105 5/20 0.40
TRPV1 Q8NER1 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
GCGR P47871 1/20 0.38
PREP P48147 1/20 0.38
ABL1 P00519 1/20 0.37
CXCR3 P49682 1/20 0.37

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
SCHEMBL5941500 0.91 NAMPT (0.46) NAMPTCHRM4PTAFRSLC6A5
SCHEMBL6212722 0.90 CHRM4 (0.43) NAMPTCHRM4PTAFR
SCHEMBL6209605 0.88 DPP4 (0.44) NAMPTPTAFRHDAC3HDAC1
SCHEMBL6211580 0.87 NAMPT (0.43) NAMPTCHRM2CHRM1CHRM4PTAFR
SCHEMBL6211027 0.87 NAMPT (0.40) NAMPTCHRM2CHRM1CHRM4TRPV1
SCHEMBL6211236 0.86 PTAFR (0.40) NAMPTCHRM4PTAFRHDAC3HDAC1
SCHEMBL6212212 0.86 PTAFR (0.42) PTAFR
SCHEMBL6258369 0.85 LMNA (0.44) NAMPTCHRM2CHRM1CHRM4TRPV1
SCHEMBL6211981 0.85 ALDH1A1 (0.46) NAMPTPTAFRHDAC3HDAC1
SCHEMBL6209099 0.83 ROCK2 (0.41) NAMPTPTAFR

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 disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed