SCHEMBL4721853

SCHEMBL4721853

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.36
F2 P00734 4/20 0.36
P2RX7 Q99572 1/20 0.35
NOTUM Q6P988 1/20 0.34
SOS1 Q07889 2/20 0.32
ACACB O00763 1/20 0.32
ABL1 P00519 1/20 0.32
PHGDH O43175 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL4721627 0.93 P2RX7 (0.36) F10F2P2RX7NOTUMACACB
SCHEMBL4766330 0.93 P2RX7 (0.36) F10F2P2RX7NOTUMACACB
SCHEMBL4721632 0.93 P2RX7 (0.36) F10F2P2RX7NOTUMACACB
SCHEMBL4724414 0.92 P2RX7 (0.35) F10F2P2RX7NOTUMABL1
SCHEMBL4723010 0.92 P2RX7 (0.35) F10F2P2RX7SOS1ACACB
SCHEMBL4724420 0.92 P2RX7 (0.35) F10F2P2RX7NOTUMABL1
SCHEMBL4723006 0.92 P2RX7 (0.35) F10F2P2RX7SOS1ACACB
SCHEMBL4721802 0.91 P2RX7 (0.35) F10F2P2RX7ACACBABL1
SCHEMBL4721808 0.91 P2RX7 (0.35) F10F2P2RX7ACACBABL1
SCHEMBL4724937 0.91 F10 (0.34) F10F2P2RX7SOS1ACACB

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