SCHEMBL17325320

SCHEMBL17325320

NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.55
▸ SLC15A2 Q16348 1/20 0.54
▸ EPHX2 P34913 1/20 0.51
▸ TBXAS1 P24557 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ SLC7A5 Q01650 1/20 0.48
▸ REN P00797 3/20 0.47
▸ FAAH O00519 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ ITGB2 P05107 2/20 0.45
▸ ICAM1 P05362 2/20 0.45
▸ ITGAL P20701 2/20 0.45
▸ HRH2 P25021 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL19051549 0.91 SLC15A2 (0.56) SLC6A5SLC15A2EPHX2TBXAS1CYP3A4
SCHEMBL19051545 0.89 SLC15A2 (0.53) SLC6A5SLC15A2EPHX2TBXAS1REN
SCHEMBL19051548 0.88 REN (0.57) SLC6A5SLC15A2REN
SCHEMBL19059414 0.87 SLC6A5 (0.70) SLC6A5SLC15A2EPHX2TBXAS1CYP3A4
SCHEMBL19051546 0.87 SLC15A2 (0.52) SLC6A5SLC15A2EPHX2TBXAS1REN
SCHEMBL18857761 0.86 SLC15A2 (0.58) SLC6A5SLC15A2EPHX2CPB2HRH2
SCHEMBL19051564 0.86 SLC15A2 (0.51) SLC6A5SLC15A2EPHX2TBXAS1REN
SCHEMBL21852767 0.85 ERAP2 (0.54) SLC6A5RENHRH2HRH4
SCHEMBL19051550 0.83 SLC15A2 (0.61) SLC6A5SLC15A2EPHX2TBXAS1CYP3A4
SCHEMBL18381256 0.83 SLC6A5 (0.57) SLC6A5SLC15A2EPHX2TBXAS1CYP3A4

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
US-9353154-B2 Compositions for labeling nerves and methods of use AVELAS BIOSCIENCES, INC. (US) 2016-05-31 — — US disclosed
US-20150353604-A1 COMPOSITIONS FOR LABELING NERVES AND METHODS OF USE AVELAS ACQUISITION CORPORATION 2015-12-10 — — US disclosed
Send feedback