SCHEMBL6259712

SCHEMBL6259712

Cc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CC(=O)NC1CCNC1.O=C(Cn1ccn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c1=O)NC1CNC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.34
P2RX7 Q99572 1/20 0.34
CNR2 P34972 3/20 0.32
RXFP1 Q9HBX9 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
F2 P00734 1/20 0.31
CNR1 P21554 2/20 0.31
HTT P42858 1/20 0.30
TP53 P04637 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL5838172 0.93 P2RX7 (0.36) P2RY12P2RX7CNR2RXFP1MAPT
SCHEMBL5838688 0.91 P2RX7 (0.39) P2RX7CNR2KDM4EALDH1A1POLB
SCHEMBL5837998 0.91 P2RX7 (0.37) P2RY12P2RX7CNR2KDM4EALDH1A1
SCHEMBL5838492 0.89 ALDH1A1 (0.37) P2RX7CNR2RXFP1MAPTKDM4E
SCHEMBL5837720 0.89 P2RX7 (0.41) P2RX7CNR2RXFP1MAPTALDH1A1
SCHEMBL6267690 0.88 P2RX3 (0.35) P2RX7CNR2RXFP1MAPTKDM4E
SCHEMBL6277608 0.88 P2RX7 (0.35) P2RX7CNR2CNR1TP53
SCHEMBL5837880 0.87 P2RX7 (0.38) P2RX7CNR2RXFP1MAPTKDM4E
SCHEMBL6259710 0.86 P2RX7 (0.45) P2RX7
SCHEMBL6259125 0.84 P2RX7 (0.35) P2RX7CNR2MAPTPOLBCNR1

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