SCHEMBL4724934

SCHEMBL4724934

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(=O)OC(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.34
P2RX7 Q99572 1/20 0.34
F2 P00734 1/20 0.34
CETP P11597 1/20 0.33
SOS1 Q07889 2/20 0.33
ACACB O00763 1/20 0.33
ABL1 P00519 2/20 0.32
PHGDH O43175 1/20 0.32
MAPT P10636 1/20 0.31
PLA2G7 Q13093 2/20 0.31
MGLL Q99685 2/20 0.31
ABHD6 Q9BV23 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 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
SCHEMBL4724937 1.00 F10 (0.34) F10P2RX7F2CETPSOS1
SCHEMBL4723010 0.93 P2RX7 (0.35) F10P2RX7F2SOS1ACACB
SCHEMBL4723006 0.93 P2RX7 (0.35) F10P2RX7F2SOS1ACACB
SCHEMBL4718551 0.91 P2RX7 (0.36) F10P2RX7F2SOS1ABL1
SCHEMBL4718554 0.91 P2RX7 (0.36) F10P2RX7F2SOS1ABL1
SCHEMBL4721853 0.91 F10 (0.36) F10P2RX7F2SOS1ACACB
SCHEMBL4721627 0.91 P2RX7 (0.36) F10P2RX7F2ACACBABL1
SCHEMBL4766330 0.91 P2RX7 (0.36) F10P2RX7F2ACACBABL1
SCHEMBL4721632 0.91 P2RX7 (0.36) F10P2RX7F2ACACBABL1
SCHEMBL4724420 0.90 P2RX7 (0.35) F10P2RX7F2ABL1PDE3B

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