SCHEMBL7653627

SCHEMBL7653627

NC(C(=O)OCc1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 5/20 0.62
SLC1A3 P43003 4/20 0.62
SLC1A2 P43004 3/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SLC15A1 P46059 2/20 0.51
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL8861386 1.00 SLC1A1 (0.62) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL383650 1.00 SLC1A1 (0.62) SLC1A1SLC1A3SLC1A2KMT2AMEN1
Hydrochloric Acid SCHEMBL382327 0.98 SLC1A1 (0.60) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL6007748 0.87 LTA4H (0.49) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL6007743 0.87 LTA4H (0.49) SLC1A1SLC1A3SLC1A2KMT2AMEN1
Valine SCHEMBL28244847 0.86 SLC15A1 (0.60) SLC1A1SLC1A3SLC1A2KMT2AMEN1
Valine SCHEMBL28244846 0.86 SLC15A1 (0.60) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL11310409 0.86 SLC1A1 (0.54) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL7669860 0.86 SLC1A1 (0.58) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL6006754 0.84 NPC1 (0.45) SLC1A1SLC1A3SLC1A2KMT2AMEN1

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-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed