SCHEMBL6276507

SCHEMBL6276507

Cc1ccc(C(NC(=O)c2cc(-n3nc(C)[nH]c3=O)ccc2Cl)C2CCCCC2)cc1.Cc1nn(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.54
ABCB11 O95342 1/20 0.54
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5838248 0.89 HSD17B1 (0.50) P2RX7HSD17B1HSD17B2CNR2
SCHEMBL5837770 0.84 P2RX7 (0.73) P2RX7ABCB11KDM4EMEN1ALDH1A1
SCHEMBL6276504 0.81 P2RX7 (0.56) P2RX7ABCB11
SCHEMBL1412884 0.78 P2RX7 (0.62) P2RX7ABCB11HSD17B1HSD17B2
SCHEMBL5839014 0.77 P2RX7 (0.49) P2RX7CNR2
SCHEMBL5838143 0.77 P2RX7 (0.49) P2RX7CNR2
SCHEMBL5837478 0.74 HSD17B1 (0.51) P2RX7HSD17B1HSD17B2CNR2
SCHEMBL1412926 0.73 P2RX7 (0.64) P2RX7ABCB11MEN1ALDH1A1KMT2A
SCHEMBL1415262 0.72 P2RX7 (0.62) P2RX7ABCB11MEN1ALDH1A1KMT2A
SCHEMBL5838554 0.72 HSD17B1 (0.49) P2RX7HSD17B1HSD17B2CNR2

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
EP-1581507-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2005-10-05 EP disclosed
WO-2004058731-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-07-15 WO disclosed