SCHEMBL8813467

SCHEMBL8813467

CC(C)[C@H](NCc1ccc2cc(-c3ccccc3C#N)ccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
AKR1B1 P15121 1/20 0.44
PTPN1 P18031 1/20 0.42
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSS P25774 2/20 0.41
ABL1 P00519 1/20 0.39
CTSK P43235 2/20 0.39
ADAMTS4 O75173 2/20 0.39
MMP13 P45452 2/20 0.39
MME P08473 1/20 0.38
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL8910310 0.90 ABL1 (0.42) FFAR1AKR1B1PTPN1ABL1ADAMTS4
SCHEMBL2317 0.90 FFAR1 (0.48) FFAR1AKR1B1PTPN1CTSLCTSB
SCHEMBL14004740 0.90 FFAR1 (0.48) FFAR1AKR1B1PTPN1CTSLCTSB
Hydrochloric Acid SCHEMBL3473569 0.89 FFAR1 (0.47) FFAR1AKR1B1PTPN1CTSLCTSB
Hydrochloric Acid SCHEMBL2728 0.89 FFAR1 (0.47) FFAR1AKR1B1PTPN1CTSLCTSB
SCHEMBL8808708 0.85 CTSL (0.37) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL2437416 0.85 CTSS (0.42) PTPN1CTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL3412065 0.84 CTSB (0.41) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL3133 0.84 PDCD1 (0.43) FFAR1AKR1B1PTPN1CTSLCTSB
SCHEMBL8807142 0.84 MAOA (0.49) FFAR1CTSLCTSBCTSSCTSK

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