Sugi Predict

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SCHEMBL6404461

SCHEMBL6404461

Cc1nn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CC(O)COC1CNC1.Cc1nn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CCCOC1CNC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.43
▸ CNR1 P21554 8/20 0.33
▸ CNR2 P34972 8/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL5837997 0.95 P2RX7 (0.45) P2RX7CNR1CNR2ALDH1A1LMNA
SCHEMBL5837480 0.95 P2RX7 (0.40) P2RX7CNR1CNR2
SCHEMBL5837069 0.91 P2RX7 (0.37) P2RX7CNR1CNR2ALDH1A1LMNA
SCHEMBL5839166 0.91 P2RX7 (0.43) P2RX7CNR1CNR2ALDH1A1LMNA
SCHEMBL5837146 0.88 P2RX7 (0.38) P2RX7CNR1CNR2
SCHEMBL5838670 0.88 P2RX7 (0.43) P2RX7CNR1CNR2ALDH1A1LMNA
SCHEMBL6404458 0.86 P2RX7 (0.60) P2RX7
SCHEMBL5838738 0.86 P2RX7 (0.45) P2RX7CNR1CNR2ALDH1A1LMNA
SCHEMBL5837889 0.86 P2RX7 (0.54) P2RX7CNR1CNR2
SCHEMBL5838146 0.82 P2RX7 (0.49) P2RX7CNR1CNR2ALDH1A1

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