SCHEMBL7024508

SCHEMBL7024508

Cc1cc2cccc3c2n1C(CN1CCOCC1)[C@@H](c1ccc2ccccc2c1C=O)O3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.42
CNR2 P34972 6/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RGS12 O14924 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4089479 0.78 CNR1 (0.52) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL31318122 0.78 CNR1 (0.52) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL3176889 0.78 CNR1 (0.52) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL3011354 0.77 CNR1 (0.55) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL31318123 0.77 CNR1 (0.55) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL5792357 0.77 CNR1 (0.55) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL1431579 0.69 CNR1 (0.61) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL8069945 0.69 CNR1 (0.56) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL6558235 0.67 CNR1 (0.39) CNR1CNR2CYP3A4CYP2C9KMT2A
SCHEMBL4339007 0.66 CNR1 (0.66) CNR1CNR2CYP3A4CYP2C9KMT2A

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
WO-2002047691-A9 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2003-11-20 WO disclosed
WO-2002047691-A1 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2002-06-20 WO disclosed
US-20020077322-A1 Protection of neurons against glutamate-induced damage in glaucoma and other conditions AYOUB GEORGE S (US) 2002-06-20 US disclosed
US-20020077322-A1 Protection of neurons against glutamate-induced damage in glaucoma and other conditions AYOUB GEORGE S (US) 2002-06-20 US disclosed