SCHEMBL4347705

SCHEMBL4347705

CC(C)(C)N(C[C@H](N)Cc1ccncc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.40
ERAP2 Q6P179 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
DPP4 P27487 1/20 0.40
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 2/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL4347700 1.00 ANPEP (0.40) ANPEPERAP2ERAP1DPP4CYP3A4
SCHEMBL1527219 0.87 EPHX1 (0.48) ANPEPALDH1A1MEN1KMT2AHTT
SCHEMBL14860145 0.87 EPHX1 (0.48) ANPEPALDH1A1MEN1KMT2AHTT
SCHEMBL14860143 0.87 EPHX1 (0.48) ANPEPALDH1A1MEN1KMT2AHTT
SCHEMBL4346637 0.84 DPP4 (0.44) ANPEPERAP2ERAP1DPP4CYP3A4
SCHEMBL4346640 0.84 DPP4 (0.44) ANPEPERAP2ERAP1DPP4CYP3A4
SCHEMBL4343817 0.83 RIPK1 (0.40) ANPEPDPP4ENPEP
SCHEMBL4359730 0.83 SLC6A4 (0.50) ANPEPDPP4CYP3A4ALDH1A1CYP2C9
SCHEMBL4343822 0.83 RIPK1 (0.40) ANPEPDPP4ENPEP
SCHEMBL4359724 0.83 SLC6A4 (0.50) ANPEPDPP4CYP3A4ALDH1A1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed