SCHEMBL8231197

SCHEMBL8231197

N[C@@H](Cc1ccc(Br)cc1)C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.45
▸ SLC7A5 Q01650 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ DPP4 P27487 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12218784 0.82 SLC15A1 (0.45) SLC15A1SLC7A5PTGS1DPP4FAP
SCHEMBL997986 0.81 SLC15A1 (0.66) SLC15A1SLC7A5ALDH1A1PTGS1SMN1; SMN2
SCHEMBL995791 0.81 SLC15A1 (0.66) SLC15A1SLC7A5ALDH1A1PTGS1SMN1; SMN2
SCHEMBL996112 0.81 SLC15A1 (0.66) SLC15A1SLC7A5ALDH1A1PTGS1SMN1; SMN2
Hydrochloric Acid SCHEMBL4981923 0.80 SLC15A1 (0.64) SLC15A1SLC7A5ALDH1A1PTGS1SMN1; SMN2
Hydrochloric Acid SCHEMBL1758457 0.80 SLC15A1 (0.64) SLC15A1SLC7A5ALDH1A1PTGS1SMN1; SMN2
SCHEMBL244718 0.79 SLC7A5 (0.69) SLC7A5CYP3A4HIF1AALDH1A1ALOX15
SCHEMBL14559931 0.79 SLC7A5 (0.48) SLC7A5PTGS1DPP4MEN1KMT2A
SCHEMBL44832 0.79 SLC7A5 (0.69) SLC7A5CYP3A4HIF1AALDH1A1ALOX15
SCHEMBL14355742 0.79 SLC7A5 (0.48) SLC7A5PTGS1DPP4MEN1KMT2A

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
WO-2008011116-A2 AZA-PEPTIDE PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 — — WO disclosed
Send feedback