SCHEMBL4718893

SCHEMBL4718893

COc1cc(OC)cc(-c2cn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2ccn3CCO)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.34
P2RX7 Q99572 1/20 0.34
F2 P00734 1/20 0.34
SOS1 Q07889 2/20 0.33
MCHR1 Q99705 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
HSD11B1 P28845 3/20 0.31
ACACB O00763 1/20 0.31
ABL1 P00519 1/20 0.31
PDE7A Q13946 1/20 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
SCHEMBL4718889 1.00 F10 (0.34) F10P2RX7F2SOS1MCHR1
SCHEMBL4722078 0.90 LIPG (0.37) ACACB
SCHEMBL4722072 0.90 LIPG (0.37) ACACB
SCHEMBL14102024 0.90 NOTUM (0.33) F10F2
SCHEMBL4722513 0.89 ESRRA (0.31)
SCHEMBL4722250 0.85 F10 (0.37) F10P2RX7F2SOS1
SCHEMBL4722255 0.85 F10 (0.37) F10P2RX7F2SOS1
SCHEMBL4719016 0.82 AKR1B10 (0.33) P2RX7
SCHEMBL4724926 0.81 PDE7A (0.37) P2RX7SOS1MCHR1PDE7A
SCHEMBL4724930 0.81 PDE7A (0.37) P2RX7SOS1MCHR1PDE7A

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