SCHEMBL6093300

SCHEMBL6093300

COc1ccc(CC(=O)NCCC(c2ccc(Cl)cc2)N(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
CNR2 P34972 3/20 0.61
UTS2R Q9UKP6 3/20 0.61
CNR1 P21554 1/20 0.53
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL6092302 0.89 KMT2A (0.64) ALDH1A1CNR2UTS2RCNR1KMT2A
SCHEMBL4729679 0.81 UTS2R (0.61) ALDH1A1UTS2RL3MBTL1NPC1
SCHEMBL4730705 0.76 UTS2R (0.65) ALDH1A1UTS2R
SCHEMBL6093294 0.76 UTS2R (1.00) CNR2UTS2R
Hydrochloric Acid SCHEMBL5457616 0.75 UTS2R (0.98) CNR2UTS2R
SCHEMBL6092762 0.73 UTS2R (0.60) ALDH1A1UTS2RCNR1KMT2AMEN1
SCHEMBL6093716 0.73 UTS2R (0.62) CNR2UTS2RCNR1KMT2AMEN1
SCHEMBL3660216 0.72 DRD2 (0.46) ALDH1A1UTS2RCNR1KMT2AMEN1
SCHEMBL1882632 0.72 ALDH1A1 (0.46) ALDH1A1CNR2CNR1ATMHDAC1
SCHEMBL4731502 0.71 UTS2R (0.55) UTS2RKMT2AMEN1NPC1

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
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO disclosed