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SCHEMBL6260746

SCHEMBL6260746

Cc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CC(O)CO.O=C(NC(O)C1CCCCCC1)c1cc(-n2ccn(CC(O)CO)c2=O)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.34
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 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
SCHEMBL5838211 0.94 P2RX7 (0.38) P2RX7CNR2CNR1SMYD3TP53
SCHEMBL6258457 0.93 P2RX7 (0.35) P2RX7CNR2CNR1SMYD3
SCHEMBL5837733 0.91 P2RX7 (0.40) P2RX7CNR2CNR1SMYD3
SCHEMBL5838500 0.86 P2RX7 (0.39) P2RX7CNR2CNR1SMYD3TP53
SCHEMBL5838192 0.86 P2RX7 (0.37) P2RX7CNR2CNR1TP53POLB
SCHEMBL5837580 0.86 P2RX7 (0.37) P2RX7CNR2CNR1TP53POLB
SCHEMBL6259125 0.85 P2RX7 (0.35) P2RX7CNR2CNR1SMYD3TP53
SCHEMBL5838989 0.85 P2RX7 (0.47) P2RX7CNR2CNR1MAPT
SCHEMBL5838903 0.85 P2RX7 (0.37) P2RX7CNR2CNR1SMYD3TP53
SCHEMBL5837666 0.84 P2RX7 (0.39) P2RX7CNR2CNR1SMYD3

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