SCHEMBL8330962

SCHEMBL8330962

Fc1cnc(C#CCCCc2ccccc2)nc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
NAAA Q02083 1/20 0.38
CTSL P07711 1/20 0.35
MAOA P21397 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPK14 Q16539 1/20 0.33
HTR2A P28223 1/20 0.33
CXCR2 P25025 1/20 0.33
FAAH O00519 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 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
SCHEMBL7465159 0.72 HTR2C (0.44) NAAAMAOAFAAH
SCHEMBL29187194 0.68 GRM5 (0.54) GRM5MAOA
SCHEMBL20939195 0.68 GRM5 (0.40) GRM5MAOAFAAH
SCHEMBL20925715 0.68 GRM5 (0.54) GRM5MAOAMAPK14HTR2ACXCR2
SCHEMBL20917395 0.68 GRM5 (0.54) GRM5NAAAMAOAMAPK14CXCR2
SCHEMBL28175144 0.66 GRM5 (0.51) GRM5MAOAHTR2A
SCHEMBL5966248 0.66 GRM5 (0.50) GRM5MAOAHTR2A
SCHEMBL102791 0.65 GRM5 (0.50) GRM5HTR2A
SCHEMBL20917220 0.65 GRM5 (0.38) GRM5PDE4APDE4BPDE4CPDE4D
SCHEMBL20917218 0.65 GRM5 (0.38) GRM5PDE4APDE4BPDE4CPDE4D

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
WO-1996030344-A9 PYRIMIDINE COMPOUNDS 1999-02-11 WO disclosed
EP-0817773-A2 PYRIMIDINE COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-01-14 EP disclosed