SCHEMBL6210331

SCHEMBL6210331

NC(=O)CCCC(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.38
CTSK P43235 4/20 0.36
EPHX2 P34913 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EPHX1 P07099 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
MEN1 O00255 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
SCHEMBL4044468 0.85 L3MBTL1 (0.38) L3MBTL1NAMPTCTSKEPHX2CHRNB2
SCHEMBL6209960 0.84 CTSK (0.39) L3MBTL1NAMPTCTSKEPHX2ALDH1A1
SCHEMBL6209532 0.84 CTSK (0.39) L3MBTL1NAMPTCTSKEPHX2CHRNB2
SCHEMBL6209760 0.84 MT-CO2 (0.33) L3MBTL1NAMPTSMYD3SMN1; SMN2MEN1
SCHEMBL6210232 0.81 KMT2A (0.52) NAMPTCTSKMEN1KMT2A
SCHEMBL6209393 0.80 CTSL (0.36) CTSKSMYD3CTSLCTSS
SCHEMBL5941557 0.80 PREP (0.49) NAMPTMEN1KMT2A
SCHEMBL6212982 0.79 CTSK (0.50) NAMPTCTSKALDH1A1SMN1; SMN2CTSS
SCHEMBL6210300 0.79 DPP4 (0.47) NAMPTCTSKMEN1KMT2A
SCHEMBL6211258 0.79 KMT2A (0.54) L3MBTL1NAMPTCTSKALDH1A1SMN1; SMN2

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