SCHEMBL6670889

SCHEMBL6670889

COC(=O)CC(NC(=O)CN)c1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
DCAF1 Q9Y4B6 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
CTSA P10619 4/20 0.38
ICMT O60725 1/20 0.38
FFAR1 O14842 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
TACR3 P29371 1/20 0.36

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
Hydrochloric Acid SCHEMBL7172712 0.99 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1DCAF1KMT2A
SCHEMBL6671131 0.88 POLB (0.47) KMT2AMEN1MAPTPOLBCTSA
Hydrochloric Acid SCHEMBL7176273 0.87 POLB (0.46) KMT2AMAPTPOLBCTSA
SCHEMBL6667661 0.86 FFAR1 (0.46) DCAF1KMT2AMEN1MAPTPOLB
SCHEMBL6668894 0.86 HTT (0.47) DCAF1KMT2AMEN1MAPTPOLB
Hydrochloric Acid SCHEMBL7177344 0.85 FFAR1 (0.45) MAPTPOLBCTSAFFAR1
Hydrochloric Acid SCHEMBL7170943 0.84 HTT (0.46) DCAF1KMT2AMEN1MAPTPOLB
SCHEMBL6670243 0.84 FFAR1 (0.46) DCAF1KMT2AMEN1POLBCTSA
Hydrochloric Acid SCHEMBL7172249 0.83 FFAR1 (0.45) DCAF1KMT2AMEN1CTSAFFAR1
SCHEMBL3995352 0.82 APP (0.41) SLC1A3SLC1A2SLC1A1DCAF1KMT2A

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-1153014-B1 BETA-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2004-09-22 EP disclosed