SCHEMBL4766685

SCHEMBL4766685

Cc1cccc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD11B1 P28845 3/20 0.37
SOS1 Q07889 2/20 0.37
RORC P51449 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
PHGDH O43175 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL4766691 1.00 P2RX7 (0.43) P2RX7KDM4ELMNAMAPTNPSR1
SCHEMBL4766349 0.93 P2RX7 (0.41) P2RX7HSD11B1SOS1RORCPDE3B
SCHEMBL4766334 0.93 P2RX7 (0.41) P2RX7HSD11B1SOS1RORCPDE3B
SCHEMBL4721415 0.91 P2RX7 (0.40) P2RX7LMNAMAPTNPSR1HSD11B1
SCHEMBL4721412 0.91 P2RX7 (0.40) P2RX7LMNAMAPTNPSR1HSD11B1
SCHEMBL4722881 0.91 HSD11B1 (0.41) P2RX7KDM4EHSD11B1SOS1RORC
SCHEMBL4722888 0.91 HSD11B1 (0.41) P2RX7KDM4EHSD11B1SOS1RORC
SCHEMBL4721174 0.91 P2RX7 (0.41) P2RX7LMNAMAPTHSD11B1SOS1
SCHEMBL4724020 0.91 P2RX7 (0.41) P2RX7HSD11B1SOS1RORCPDE3B
SCHEMBL4724027 0.91 P2RX7 (0.41) P2RX7HSD11B1SOS1RORCPDE3B

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