SCHEMBL4345865

SCHEMBL4345865

CC(C)(C)N(C[C@@H](N)Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
RIPK1 Q13546 1/20 0.42
CTSL P07711 3/20 0.41
DPP4 P27487 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
KIF11 P52732 1/20 0.40
PKM P14618 1/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
MASP2 O00187 1/20 0.39
SLC2A1 P11166 1/20 0.39
CTBP2 P56545 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CTSV O60911 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 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
SCHEMBL4345868 1.00 PNMT (0.50) PNMTRIPK1CTSLDPP4TSHR
SCHEMBL4349071 0.86 MEN1 (0.41) CTSLKIF11ANPEPENPEPCTBP2
SCHEMBL4349075 0.86 MEN1 (0.41) CTSLKIF11ANPEPENPEPCTBP2
SCHEMBL1527219 0.85 EPHX1 (0.48) PKMANPEPMEN1KMT2ASLC7A5
SCHEMBL14860145 0.85 EPHX1 (0.48) PKMANPEPMEN1KMT2ASLC7A5
SCHEMBL14860143 0.85 EPHX1 (0.48) PKMANPEPMEN1KMT2ASLC7A5
SCHEMBL4352830 0.85 SLC1A1 (0.51) RIPK1DPP4ANPEPENPEPCTSS
SCHEMBL4352828 0.85 SLC1A1 (0.51) RIPK1DPP4ANPEPENPEPCTSS
SCHEMBL4359730 0.84 SLC6A4 (0.50) DPP4ANPEPENPEPHTT
SCHEMBL4359724 0.84 SLC6A4 (0.50) DPP4ANPEPENPEPHTT

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