SCHEMBL17244053

SCHEMBL17244053

CCCCCCCCCCCCCCCCCC(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.71
▸ FAAH O00519 4/20 0.54
▸ CNR1 P21554 2/20 0.54
▸ CNR2 P34972 2/20 0.54
▸ SLC15A2 Q16348 1/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ ITGB2 P05107 3/20 0.47
▸ ICAM1 P05362 3/20 0.47
▸ ITGAL P20701 3/20 0.47
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42

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
SCHEMBL17203892 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL17204083 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL15650015 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL9664374 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL15649758 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL17817155 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL13279669 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL4348859 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL22034112 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2
SCHEMBL28341177 0.89 SLC6A5 (0.87) SLC6A5FAAHCNR1CNR2SLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180201-B2 Method for preparing lipopeptide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-10 — — US disclosed
Send feedback