SCHEMBL6667519

SCHEMBL6667519

O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(CCN3CC(O)(O)C3)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 1/20 0.52
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
POLB P06746 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL7846679 0.87 NHERF1 (0.52) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL6670300 0.85 NHERF1 (0.50) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL7834823 0.83 NHERF1 (0.60) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL7845700 0.78 NHERF1 (0.61) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL6204818 0.77 NHERF1 (0.59) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL6670721 0.77 NHERF1 (0.55) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL6818435 0.76 POLB (0.67) NHERF1ADORA2AADORA1POLBNPC1
SCHEMBL6204128 0.76 NHERF1 (0.68) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL6230550 0.76 NHERF1 (0.68) NHERF1ADORA2AADORA1POLBMAPT
SCHEMBL6205197 0.76 POLB (0.61) NHERF1POLBMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed