SCHEMBL8807142

SCHEMBL8807142

CC(C)[C@H](NCc1ccc2oc(-c3ccccc3C#N)cc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.49
MAOB P27338 5/20 0.49
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSL P07711 4/20 0.37
CTSB P07858 3/20 0.37
CTSS P25774 3/20 0.37
CTSK P43235 2/20 0.37
FFAR1 O14842 1/20 0.35
TRPM8 Q7Z2W7 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 0.84 FFAR1 (0.44) CTSLCTSBCTSSCTSKFFAR1
SCHEMBL2317 0.81 FFAR1 (0.48) CTSLCTSBCTSSCTSKFFAR1
SCHEMBL14004740 0.81 FFAR1 (0.48) CTSLCTSBCTSSCTSKFFAR1
SCHEMBL8808708 0.81 CTSL (0.37) MEN1KMT2ACTSLCTSBCTSS
Hydrochloric Acid SCHEMBL3473569 0.80 FFAR1 (0.47) CTSLCTSBCTSSCTSKFFAR1
SCHEMBL2437416 0.80 CTSS (0.42) CTSLCTSBCTSSCTSKTRPM8
Hydrochloric Acid SCHEMBL2728 0.80 FFAR1 (0.47) CTSLCTSBCTSSCTSKFFAR1
Hydrochloric Acid SCHEMBL3412065 0.80 CTSB (0.41) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL8483362 0.78 AGTR1 (0.41) MAOAMAOBFFAR1
SCHEMBL7440252 0.76 MAOB (0.46) MAOAMAOBFFAR1

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