SCHEMBL4724145

SCHEMBL4724145

COc1cc(OC)cc(-c2c3c(cn(-c4cc(N)ccc4C(F)(F)F)c2=O)CCC3)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
GRM7 Q14831 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL4720890 0.89 EGFR (0.33) ALPLALPIGRM7CNR1CNR2
SCHEMBL14101834 0.86 F2 (0.36) F10ALPLALPI
SCHEMBL14101833 0.86
SCHEMBL4722328 0.85 MEN1 (0.33)
SCHEMBL4718937 0.80 P2RX7 (0.38) F10
SCHEMBL4718933 0.80 P2RX7 (0.38) F10
SCHEMBL4723271 0.76 PDE4A (0.40) F10ALPLALPIGRM7
SCHEMBL4721608 0.73 AKR1B10 (0.33) ALPLALPI
SCHEMBL14101952 0.71 AKR1B10 (0.32) GRM7
SCHEMBL4722014 0.71 PDE4A (0.38) F10GRM7

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 2 patents. 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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed