SCHEMBL4720480

SCHEMBL4720480

Cc1cc(C)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
MYC P01106 2/20 0.32
WDR5 P61964 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
NOTUM Q6P988 2/20 0.32
F10 P00742 1/20 0.32
RORC P51449 1/20 0.32
SOS1 Q07889 2/20 0.31
HSD11B1 P28845 3/20 0.31
CXCR3 P49682 2/20 0.31
PDE7A Q13946 1/20 0.31
PHGDH O43175 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
SCHEMBL4720477 1.00 P2RX7 (0.37) P2RX7MYCWDR5PDE3BPDE3A
SCHEMBL4723793 0.91 F10 (0.36) P2RX7F10CXCR3PDE7A
SCHEMBL4723789 0.91 F10 (0.36) P2RX7F10CXCR3PDE7A
SCHEMBL4721019 0.90 SMPD3 (0.37)
SCHEMBL4721024 0.90 SMPD3 (0.37)
SCHEMBL4724015 0.90 MAPT (0.34) P2RX7NOTUM
SCHEMBL4720017 0.89 CXCR3 (0.31) CXCR3
SCHEMBL4722249 0.89 P2RX7 (0.38) P2RX7MYCWDR5PDE3BPDE3A
SCHEMBL4722245 0.89 P2RX7 (0.38) P2RX7MYCWDR5PDE3BPDE3A
SCHEMBL4719363 0.88 P2RX7 (0.36) P2RX7F10RORCCXCR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed