SCHEMBL8808708

SCHEMBL8808708

CC(C)[C@H](NCc1ccc2nc(-c3ccccc3C#N)ccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.37
CTSB P07858 4/20 0.37
CTSS P25774 3/20 0.37
CTSK P43235 2/20 0.37
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8813467 0.85 FFAR1 (0.44) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL14004740 0.81 FFAR1 (0.48) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL2317 0.81 FFAR1 (0.48) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL8807142 0.81 MAOA (0.49) CTSLCTSBCTSSCTSKMEN1
Hydrochloric Acid SCHEMBL3473569 0.80 FFAR1 (0.47) CTSLCTSBCTSSCTSKTRPM8
Hydrochloric Acid SCHEMBL2728 0.80 FFAR1 (0.47) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL2437416 0.78 CTSS (0.42) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL8488698 0.78 AGTR1 (0.42) MEN1MAPTKMT2ATDP1USP2
Hydrochloric Acid SCHEMBL3412065 0.78 CTSB (0.41) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL8910310 0.76 ABL1 (0.42) MEN1KMT2AALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP disclosed