SCHEMBL16197682

SCHEMBL16197682

NC(=O)CNCC(=O)O.O=C(O)CNCC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 3/20 0.41
SLC6A3 Q01959 3/20 0.40
DRD3 P35462 2/20 0.40
LMNA P02545 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
EDNRB P24530 1/20 0.40
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40
MC3R P41968 1/20 0.40
DRD2 P14416 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL7310631 0.93 BCAT2 (0.49) BCAT2GRIN1GRIN2ACYP2D6CYP1A2
SCHEMBL181573 0.89 GRIN1 (0.52) BCAT2GRIN1GRIN2ACYP2D6SMN1; SMN2
SCHEMBL16197845 0.84 MTNR1A (0.49)
SCHEMBL5927838 0.82 BCAT2 (0.35) BCAT2GRIN1GRIN2ACYP2D6CYP1A2
SCHEMBL16197681 0.79 ALOX5 (0.39) BCAT2GRIN1GRIN2ACYP2C19KDM4E
SCHEMBL662614 0.78 TACR1 (0.48) BCAT2LMNACA1CA2
SCHEMBL1321258 0.76 MTNR1A (0.54)
SCHEMBL164711 0.75
SCHEMBL5662445 0.75 MAOA (0.44) CYP1A2LMNACA1CA2KDM4E
SCHEMBL13917984 0.75 GRIN1 (0.58) GRIN1GRIN2ACYP2D6KDM4EL3MBTL1

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-2989119-A1 USE OF INHIBITORY PEPTIDES FOR THE TREATMENT OF INFLAMMATORY DISEASES Yeda Research and Development Co., Ltd. (IL) 2016-03-02 EP disclosed
WO-2014174520-A1 USE OF INHIBITORY PEPTIDES FOR THE TREATMENT OF INFLAMMATORY DISEASES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-10-30 WO disclosed