SCHEMBL5374908

SCHEMBL5374908

Cc1cc(C(=O)NCC2CN(C(=O)OCc3ccccc3)CCO2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP30 Q70CQ3 1/20 0.42
PPARG P37231 2/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
GRIN2B Q13224 1/20 0.41
HPGD P15428 3/20 0.40
ATXN2 Q99700 1/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL14425340 1.00 ENPP2 (0.48) ENPP2MEN1KMT2ANPSR1USP30
SCHEMBL14425339 0.90 ENPP2 (0.48) ENPP2MEN1KMT2ANPSR1USP30
SCHEMBL5362821 0.90 ENPP2 (0.48) ENPP2MEN1KMT2ANPSR1USP30
SCHEMBL14425317 0.89 MEN1 (0.50) ENPP2MEN1KMT2ANPSR1USP30
SCHEMBL5368740 0.89 MEN1 (0.50) ENPP2MEN1KMT2ANPSR1USP30
SCHEMBL14425436 0.89 MEN1 (0.50) ENPP2MEN1KMT2ANPSR1USP30
SCHEMBL14425380 0.84 GRIN2B (0.48) ENPP2MEN1KMT2APOLBF2
SCHEMBL5364454 0.84 GRIN2B (0.46) ENPP2MEN1KMT2ANPSR1USP30
SCHEMBL5365326 0.84 GRIN2B (0.48) ENPP2MEN1KMT2APOLBF2
SCHEMBL14425361 0.83 F2 (0.46) ENPP2MEN1KMT2ANPSR1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed