SCHEMBL28808810

SCHEMBL28808810

CCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.69
▸ FAAH O00519 2/20 0.56
▸ CNR1 P21554 2/20 0.56
▸ CNR2 P34972 2/20 0.56
▸ HRH3 Q9Y5N1 8/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ HRH4 Q9H3N8 2/20 0.47
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL28147942 0.92 SLC6A5 (0.68) SLC6A5FAAHCNR1CNR2HRH3
SCHEMBL27926539 0.92 SLC6A5 (0.70) SLC6A5FAAHCNR1CNR2HRH3
SCHEMBL18381256 0.89 SLC6A5 (0.57) SLC6A5FAAHCNR1CNR2HRH3
SCHEMBL27199086 0.88 SLC6A5 (0.60) SLC6A5FAAHCNR1CNR2HRH3
SCHEMBL27199085 0.88 SLC6A5 (0.60) SLC6A5FAAHCNR1CNR2HRH3
SCHEMBL4348859 0.87 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2EPHX2
SCHEMBL17817155 0.87 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2EPHX2
SCHEMBL17204083 0.87 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2EPHX2
SCHEMBL13279669 0.87 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2EPHX2
SCHEMBL22034112 0.87 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2EPHX2

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
CN-103432091-A Improved-performance tablet and preparation method thereof ZHONG SHUGUANG 2013-12-11 — — CN claimed
CN-106588701-A Amino acid derivative and preparation method and application thereof 南京华狮新材料有限公司 2017-04-26 — — CN disclosed
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