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SCHEMBL6259969

SCHEMBL6259969

Cc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NC(O)C1CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.33
▸ CRHR1 P34998 3/20 0.32
▸ HRH1 P35367 1/20 0.31
▸ CCR3 P51677 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CNR2 P34972 3/20 0.31
▸ CNR1 P21554 3/20 0.31

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
SCHEMBL5838925 0.94 P2RX7 (0.36) P2RX7CRHR1HRH1CCR3KCNH2
SCHEMBL5838929 0.92 P2RX7 (0.37) P2RX7CRHR1CNR2CNR1
SCHEMBL5838515 0.86 P2RX7 (0.43) P2RX7CNR2CNR1
SCHEMBL5838616 0.84 P2RX7 (0.40) P2RX7CNR2CNR1
SCHEMBL5838488 0.82 P2RX7 (0.39) P2RX7CRHR1CNR2CNR1
SCHEMBL6259125 0.82 P2RX7 (0.35) P2RX7CNR2CNR1
SCHEMBL6258599 0.82 P2RX7 (0.33) P2RX7CNR2CNR1
SCHEMBL6259965 0.82 P2RX7 (0.52) P2RX7
SCHEMBL6256995 0.82 P2RX7 (0.32) P2RX7CNR2
SCHEMBL6260746 0.82 P2RX7 (0.34) P2RX7CNR2CNR1

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