SCHEMBL7326848

SCHEMBL7326848

CC(C)[C@H](N)C(=O)CCCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
LTA4H P09960 1/20 0.38
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
DPP4 P27487 4/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33

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
SCHEMBL13934699 0.82 CES2 (0.44) SLC7A5KMT2ADPP4DPP8DPP9
SCHEMBL13934948 0.82 CES2 (0.44) SLC7A5KMT2ADPP4DPP8DPP9
SCHEMBL13934353 0.82 CES2 (0.44) SLC7A5KMT2ADPP4DPP8DPP9
SCHEMBL22930635 0.80 CES2 (0.52) KMT2AMEN1FAAH
SCHEMBL8207451 0.77 SLC7A5 (0.38) SLC7A5LTA4HDPP4DPP8DPP9
SCHEMBL15616402 0.77 GABRP (0.48) SLC7A5LTA4HBLMDPP4DPP8
SCHEMBL12855284 0.76 SLC7A5 (0.46) SLC7A5LTA4HDPP4DPP8DPP9
SCHEMBL18774082 0.75 LTA4H (0.65) SLC7A5LTA4HBLMGABRPGABRD
SCHEMBL4996586 0.74 SLC7A5 (0.44) SLC7A5LTA4HDPP4DPP8DPP9
SCHEMBL11048596 0.74 SLC7A5 (0.50) SLC7A5LTA4HKMT2AALOX15BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US claimed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0236734-A2 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed