SCHEMBL4719795

SCHEMBL4719795

COc1cccc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CCO)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.37
F2 P00734 2/20 0.37
P2RX7 Q99572 1/20 0.36
S1PR1 P21453 1/20 0.36
ROCK2 O75116 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
CXCR3 P49682 1/20 0.33
SOS1 Q07889 2/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL4719800 1.00 F10 (0.37) F10F2P2RX7S1PR1ROCK2
SCHEMBL4721691 0.94 F10 (0.38) F10F2P2RX7ROCK2
SCHEMBL4721689 0.94 F10 (0.38) F10F2P2RX7ROCK2
SCHEMBL4724293 0.94 F10 (0.38) F10F2P2RX7ROCK2
SCHEMBL4719364 0.91 P2RX7 (0.36) F10F2P2RX7S1PR1ROCK2
SCHEMBL4719363 0.91 P2RX7 (0.36) F10F2P2RX7S1PR1ROCK2
SCHEMBL4719240 0.91 ABL1 (0.38) F10F2P2RX7ROCK2SOS1
SCHEMBL4719238 0.91 ABL1 (0.38) F10F2P2RX7ROCK2SOS1
SCHEMBL4721885 0.91 P2RX7 (0.38) P2RX7SOS1HSD11B1
SCHEMBL4721890 0.91 P2RX7 (0.38) P2RX7SOS1HSD11B1

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