SCHEMBL5212460

SCHEMBL5212460

Cc1cc(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)nn1CC(=O)NCCO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.56
CNR2 P34972 4/20 0.43
CRHR1 P34998 4/20 0.43
KAT6A Q92794 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 2/20 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
SCHEMBL5571545 0.90 P2RX7 (0.52) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL4469580 0.89 P2RX7 (0.51) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL4460902 0.88 P2RX7 (0.50) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL2180488 0.88 P2RX7 (0.50) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL4466795 0.87 P2RX7 (0.51) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL13372727 0.87 P2RX7 (0.47) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL4469159 0.86 P2RX7 (0.49) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL4463057 0.85 P2RX7 (0.47) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL4472724 0.85 P2RX7 (0.47) P2RX7CNR2CRHR1KAT6AKAT8
SCHEMBL2180874 0.85 P2RX7 (0.57) P2RX7CNR2CRHR1KAT6AKAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626962-B1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PROD INC (US) 2007-02-28 EP claimed
EP-1837330-B1 Benzamide inhibitors of the P2X7 receptor PFIZER PROD INC (US) 2012-10-24 EP disclosed
EP-1837330-A1 Benzamide inhibitors of the P2X7 receptor Pfizer Products Inc. (US) 2007-09-26 EP disclosed
EP-1626962-B1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PROD INC (US) 2007-02-28 EP disclosed