SCHEMBL14101702

SCHEMBL14101702

COc1cc(C)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.40
F2 P00734 3/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 5/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NOTUM Q6P988 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
UGCG Q16739 1/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 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
SCHEMBL4724195 0.95 F10 (0.42) F10F2PDE4APDE4BPDE4C
SCHEMBL4722495 0.94 F10 (0.44) F10F2PDE4APDE4BPDE4C
SCHEMBL4724509 0.93 PDE4A (0.41) F10F2PDE4APDE4BPDE4C
SCHEMBL14101706 0.92 MAPT (0.38) F10F2PDE4APDE4BPDE4C
SCHEMBL4719627 0.89 P2RX7 (0.38) F10F2PDE4APDE4BPDE4C
SCHEMBL4722958 0.89 P2RX7 (0.38) F10F2PDE4APDE4BPDE4C
SCHEMBL4719624 0.89 P2RX7 (0.38) F10F2PDE4APDE4BPDE4C
SCHEMBL4722762 0.89 F10 (0.39) F10F2PDE4APDE4BPDE4C
SCHEMBL4720784 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4722014 0.87 PDE4A (0.38) F10F2PDE4APDE4BPDE4C

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