SCHEMBL7449651

SCHEMBL7449651

NC(CN1CCCCC1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
DPP7 Q9UHL4 1/20 0.45
MAPT P10636 3/20 0.39
ATM Q13315 2/20 0.39
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
MITF O75030 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PAX8 Q06710 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL3554194 1.00 KMT2A (0.48) KMT2AMEN1ANPEPERAP2DPP7
SCHEMBL25344962 0.97 MEN1 (0.44) KMT2AMEN1ANPEPERAP2DPP7
SCHEMBL8130430 0.76 MEN1 (0.55) KMT2AMEN1ANPEPERAP2MAPT
SCHEMBL1674470 0.76 MEN1 (0.55) KMT2AMEN1ANPEPERAP2MAPT
SCHEMBL7539239 0.74 DPP7 (0.48) ANPEPERAP2DPP7CYP2D6CYP2C19
SCHEMBL4209395 0.73
SCHEMBL18205131 0.72 MEN1 (0.50) KMT2AMEN1ANPEPERAP2MAPT
SCHEMBL358919 0.72 MEN1 (0.50) KMT2AMEN1ANPEPERAP2MAPT
SCHEMBL6783279 0.72 MEN1 (0.50) KMT2AMEN1ANPEPERAP2MAPT
SCHEMBL11590989 0.72 MEN1 (0.64) KMT2AMEN1ANPEPERAP2MAPT

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-1030845-B1 HETEROCYCLIC COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2002-04-10 EP disclosed
EP-1030845-A1 HETEROCYCLIC COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
US-6063786-A Heterocyclic compounds having MMP and TNF inhibitory activity DARWIN DISCOVERY, LTD. (GB) 2000-05-16 US disclosed
WO-1999024408-A1 HETEROCYCLIC COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed