SCHEMBL7413122

SCHEMBL7413122

N[C@H](/C=C/c1ccc([N+](=O)[O-])cc1)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
BCHE P06276 1/20 0.45
MAOB P27338 1/20 0.45
APP P05067 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
FBP1 P09467 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP19A1 P11511 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL7413123 1.00 MAPT (0.52) MAPTANPEPERAP2ERAP1BCHE
SCHEMBL7413125 1.00 MAPT (0.52) MAPTANPEPERAP2ERAP1BCHE
Hydrochloric Acid SCHEMBL7458910 0.99 MAPT (0.51) MAPTANPEPERAP2ERAP1BCHE
SCHEMBL1759802 0.77 APP (0.51) MAPTBCHEMAOBAPPGRIK1
SCHEMBL1772978 0.77 APP (0.51) MAPTBCHEMAOBAPPGRIK1
SCHEMBL1772975 0.77 APP (0.51) MAPTBCHEMAOBAPPGRIK1
SCHEMBL27583120 0.74 ALDH1A1 (0.65) MAPTMAOBCYP1A2CYP2C19MEN1
SCHEMBL7351108 0.74 MAPT (0.47) MAPTANPEPERAP2ERAP1BCHE
SCHEMBL8036384 0.73 ALDH1A1 (0.49) MAPTANPEPERAP2ERAP1MAOB
SCHEMBL18063402 0.72 TSHR (0.56) MAPTANPEPERAP2ERAP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed