SCHEMBL12435149

SCHEMBL12435149

C=C(c1ccccc1)[C@@H](N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL9824760 1.00 DPP4 (0.44) DPP4F2LMNAADRA2AADRA2C
SCHEMBL12729962 0.78 DPP4 (0.50) DPP4F2LMNAADRA2AADRA2C
SCHEMBL8643386 0.78 DPP4 (0.50) DPP4F2LMNAADRA2AADRA2C
SCHEMBL16062547 0.76 L3MBTL1 (0.54) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL3262994 0.76 DPP4 (0.48) DPP4F2LMNAADRA2AADRA2C
SCHEMBL4631540 0.74 LMNA (0.56) LMNAADRA2CTDP1L3MBTL1KDM4E
SCHEMBL16838683 0.74 ADRA2A (0.46) DPP4F2LMNAADRA2AADRA2C
SCHEMBL4662816 0.74 LMNA (0.47) F2LMNAADRA2AADRA2CHIF1A
SCHEMBL5975716 0.74 ADRA2A (0.46) DPP4F2LMNAADRA2AADRA2C
SCHEMBL8201163 0.74 ADRA2A (0.46) DPP4F2LMNAADRA2AADRA2C

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-2357006-A2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease Seattle Genetics, Inc. (US) 2011-08-17 EP disclosed
EP-2353611-A2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease Seattle Genetics, Inc. (US) 2011-08-10 EP disclosed