SCHEMBL4722255

SCHEMBL4722255

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2ccn3CCO)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.37
F2 P00734 1/20 0.37
P2RX7 Q99572 1/20 0.34
ROCK2 O75116 1/20 0.33
RORC P51449 1/20 0.33
SOS1 Q07889 2/20 0.33
MYC P01106 2/20 0.32
WDR5 P61964 2/20 0.32
MAOB P27338 1/20 0.32
HTR6 P50406 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
CTSS P25774 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
SCHEMBL4722250 1.00 F10 (0.37) F10F2P2RX7ROCK2RORC
SCHEMBL14101995 0.90 F10 (0.38) F10F2HTR6
SCHEMBL4721312 0.89 ITGB2 (0.37) F10
SCHEMBL4721308 0.89 ITGB2 (0.37) F10
SCHEMBL4722039 0.89 ITGB2 (0.37) F10
SCHEMBL4721425 0.89 F10 (0.33) F10RORCHTR6CTSS
SCHEMBL4765735 0.88 F10 (0.36) F10F2P2RX7ROCK2SOS1
SCHEMBL4765719 0.88 F10 (0.36) F10F2P2RX7ROCK2SOS1
SCHEMBL4719604 0.87 F10 (0.33) F10MAOBHTR6
SCHEMBL4723495 0.86 P2RX7 (0.36) P2RX7RORCSOS1MYCWDR5

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