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Sugi Predict / Compounds / SCHEMBL6259965

SCHEMBL6259965

SCHEMBL6259965

Cc1cn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NCC1(O)CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 20/20 0.52
▸ IL1B P01584 1/20 0.43

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
SCHEMBL5838921 0.94 P2RX7 (0.57) P2RX7IL1B
SCHEMBL5838923 0.92 P2RX7 (0.56) P2RX7IL1B
SCHEMBL5838507 0.85 P2RX7 (0.68) P2RX7IL1B
SCHEMBL5838610 0.84 P2RX7 (0.65) P2RX7IL1B
SCHEMBL6259129 0.83 P2RX7 (0.53) P2RX7
SCHEMBL6259969 0.82 P2RX7 (0.33) P2RX7
SCHEMBL5838479 0.82 P2RX7 (0.61) P2RX7
SCHEMBL6258593 0.82 P2RX7 (0.51) P2RX7
SCHEMBL5843069 0.81 P2RX7 (0.60) P2RX7
SCHEMBL6277609 0.81 P2RX7 (0.51) P2RX7

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