SCHEMBL6673673

SCHEMBL6673673

COC(=O)CC(NC(=O)CN)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.45
CTSA P10619 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
TACR3 P29371 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
POLB P06746 1/20 0.41

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 SCHEMBL7173689 0.99 UTS2R (0.46) UTS2RCTSASLC1A3SLC1A2SLC1A1
SCHEMBL6667674 0.88 MEN1 (0.51) CTSATACR3MEN1KMT2APOLB
SCHEMBL7359308 0.87 SLC1A3 (0.50) UTS2RCTSASLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7176606 0.87 MEN1 (0.50) UTS2RCTSATACR3MEN1KMT2A
SCHEMBL6667661 0.83 FFAR1 (0.46) UTS2RCTSATACR3MEN1KMT2A
SCHEMBL6670243 0.83 FFAR1 (0.46) CTSATACR3MEN1KMT2APOLB
SCHEMBL6668682 0.83 ALDH1A1 (0.46) UTS2RCTSAMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL7177344 0.82 FFAR1 (0.45) UTS2RCTSAPOLB
Hydrochloric Acid SCHEMBL7172249 0.82 FFAR1 (0.45) CTSATACR3MEN1KMT2A
SCHEMBL6680560 0.82 ITGAV (0.45) TACR3MEN1KMT2AHDAC6POLB

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