SCHEMBL7445012

SCHEMBL7445012

N#Cc1ccc(C[C@H](C[C@H](O)[C@@H](N)Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
NSD2 O96028 2/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
FPR1 P21462 6/20 0.39
FPR2 P25090 6/20 0.39
EPHX2 P34913 1/20 0.39
DPP4 P27487 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FFAR1 O14842 1/20 0.38
VNN1 O95497 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
FAP Q12884 1/20 0.37

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
SCHEMBL7445009 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL7432401 0.90 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL7432403 0.90 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL7434192 0.90 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL7434194 0.90 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL7434946 0.86 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1
SCHEMBL8893218 0.86 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1
SCHEMBL8893214 0.86 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1
SCHEMBL7434949 0.86 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1
SCHEMBL7434968 0.81 PPARA (0.46) SLC1A3SLC1A2SLC1A1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed