SCHEMBL6359649

SCHEMBL6359649

COc1ccc2cnn(CC(C)NC(=O)OCc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
ATM Q13315 2/20 0.48
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
TACR3 P29371 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
F2 P00734 1/20 0.42
KMO O15229 1/20 0.42
KCNQ2 O43526 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
SCHEMBL4779482 0.92 MCHR1 (0.47) HTR2AHTR2CHTR2BATMTOP2A
SCHEMBL5055858 0.92 MCHR1 (0.47) HTR2AHTR2CHTR2BATMTOP2A
SCHEMBL5050630 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BATMMEN1
SCHEMBL5636335 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BATMMEN1
SCHEMBL6365668 0.81 ATM (0.47) ATMCA1CA2ACHETACR3
SCHEMBL7008755 0.79 CA1 (0.46) HTR2AHTR2CHTR2BATMCA1
SCHEMBL4951396 0.77 ATM (0.43) HTR2AHTR2CHTR2BATMTOP2A
SCHEMBL5637368 0.77 ATM (0.43) HTR2AHTR2CHTR2BATMTOP2A
SCHEMBL14274480 0.77 PREP (0.43) ATMMEN1KMT2ATOP2ATOP2B
SCHEMBL3962356 0.77 ATM (0.43) HTR2AHTR2CHTR2BATMTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956036-B1 6-hydroxy-indazole derivatives for treating glaucoma ALCON, INC. (CH) 2005-10-18 US disclosed