SCHEMBL3639396

SCHEMBL3639396

Cc1ccc(C(OCCN)c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
UNG P13051 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
SCHEMBL3641704 0.88 LOXL2 (0.47) GAAKDM4E
SCHEMBL3343678 0.81 LOXL2 (0.50) SLC6A4SLC6A3
SCHEMBL3343098 0.79 LOXL2 (0.48)
SCHEMBL8127899 0.76 LMNA (0.68) GAAANPEPENPEPSLC6A4SLC6A3
SCHEMBL1860176 0.76 ANPEP (0.44) ANPEPENPEPSLC6A4SLC6A3
SCHEMBL8076505 0.73 HTR1A (0.46) ANPEPENPEPSLC6A4SLC6A3
SCHEMBL3641253 0.73 ALDH1A1 (0.41) ANPEPENPEPKMT2AMEN1
SCHEMBL3338753 0.72 HTR1A (0.46) ANPEPENPEPSLC6A4SLC6A3
SCHEMBL3643578 0.72 CASR (0.42) GAAKMT2AMEN1
SCHEMBL14160236 0.72 SCN1A (0.55) SLC6A4SLC6A3KMT2AKDM4EMEN1

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-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed