SCHEMBL8768680

SCHEMBL8768680

N=C(N)NCCC[C@H](N)C(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ANPEP P15144 1/20 0.42
NPY4R P50391 3/20 0.42
NPY1R P25929 2/20 0.42
NPY2R P49146 2/20 0.42
NPY5R Q15761 2/20 0.42
EPHX1 P07099 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 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
SCHEMBL2033471 0.88 LNPEP (0.44) LTA4HNPY4RNPY1RNPY2RNPY5R
SCHEMBL18867987 0.85 SPHK1 (0.49) LTA4HNPY4RNPY1RNPY2RNPY5R
SCHEMBL2585866 0.85 EPHX1 (0.47) LTA4HNPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL29359776 0.85 EPHX1 (0.47) LTA4HNPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL13751369 0.84 NPY4R (0.42) LTA4HNPY4RNPY1RNPY2RNPY5R
SCHEMBL19445842 0.84 POLB (0.52) RAB9ASMN1; SMN2POLBALDH1A1HTT
Hydrochloric Acid SCHEMBL4087778 0.84 EPHX1 (0.46) LTA4HNPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL14250016 0.83 CYP2C9 (0.46) ANPEPNPY4RNPY1RNPY2RNPY5R
SCHEMBL10448234 0.82 MMP2 (0.46) SMN1; SMN2KDM4EPOLBALDH1A1HTT
SCHEMBL1663791 0.82 MMP2 (0.46) SMN1; SMN2KDM4EPOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2023889-A None JP disclosed
EP-0513863-B1 Substrates for determination of enzyme activity and intermediates for synthesis of the substrates as well as process for producing the intermediates NITTO BOSEKI CO LTD (JP) 1997-09-03 EP disclosed
EP-0513863-A1 Substrates for determination of enzyme activity and intermediates for synthesis of the substrates as well as process for producing the intermediates NITTO BOSEKI CO., LTD. (JP) 1992-11-19 EP disclosed
US-5115099-A Modified tripeptides as substrates for determination of enzyme activity NITTO BOSEKI CO., LTD. (JP) 1992-05-19 US disclosed
JP-H0223889-A NOVEL SUBSTRATE FOR DETERMINATION OF ENZYMATIC ACTIVITY NITTO BOSEKI CO LTD 1990-01-26 JP disclosed
EP-0347734-A2 Substrates for determination of enzyme activity and intermediates for synthesis of the substrates as well as process for producing the intermediates NITTO BOSEKI CO., LTD. (JP) 1989-12-27 EP disclosed
JP-H00223889-A 0001-01-01 JP disclosed