SCHEMBL2102964

SCHEMBL2102964

Cc1ccc(-c2cc(C)n(CCO[Si](C)(C)C(C)(C)C)n2)cc1NC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.52
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
RIPK1 Q13546 1/20 0.31
CRHR1 P34998 1/20 0.31
CRHR2 Q13324 1/20 0.31
RPS6KB1 P23443 1/20 0.31
ROCK1 Q13464 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
ACKR3 P25106 1/20 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
SCHEMBL2099737 0.91 P2RX7 (0.57) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2609211 0.88 P2RX7 (0.58) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2101206 0.88 P2RX7 (0.67) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2103966 0.85 P2RX7 (0.57) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2103964 0.85 P2RX7 (0.57) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2103962 0.85 P2RX7 (0.57) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2102118 0.84 P2RX7 (0.58) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL2101571 0.84 P2RX7 (0.54) P2RX7
SCHEMBL2101576 0.84 P2RX7 (0.54) P2RX7
SCHEMBL2101574 0.84 P2RX7 (0.54) 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
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
EP-2382202-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed