SCHEMBL7325286

SCHEMBL7325286

C[N+](C(=O)NCCO)C(=O)NCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SELP P16109 1/20 0.34
CNR1 P21554 4/20 0.33
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MMP13 P45452 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
FAAH O00519 1/20 0.31
KCNK3 O14649 1/20 0.31

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
SCHEMBL9547279 0.70 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL48502 0.69
SCHEMBL76690 0.67 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL194006 0.67 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL6063826 0.65
SCHEMBL5469546 0.65 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL613514 0.65
SCHEMBL225672 0.65
SCHEMBL2119821 0.65
SCHEMBL498932 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4914129-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1990-04-03 US disclosed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 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
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
EP-0236734-A2 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed