SCHEMBL4741234

SCHEMBL4741234

C#CCOc1cc(F)c([CH2])c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.36
MAOB P27338 7/20 0.34
MAOA P21397 4/20 0.34
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
CA12 O43570 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
PGK1 P00558 1/20 0.32
KAT6A Q92794 1/20 0.31
HTT P42858 1/20 0.31
EGFR P00533 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL4741646 0.88 GSTP1 (0.41) GSTP1MAOBMAOAACHEP2RX3
SCHEMBL4680859 0.78 GSTP1 (0.37) GSTP1MAOBMAOALMNAACHE
SCHEMBL28397137 0.76 GSTP1 (0.45) GSTP1MAOBMAOAACHECA12
SCHEMBL28397565 0.76 GSTP1 (0.45) GSTP1MAOBMAOAACHECA12
SCHEMBL4738930 0.75 HTR2C (0.38) MAOBLMNACA12CA9CA1
SCHEMBL4734667 0.75 HTT (0.35) MAOBCA12CA9CA1CA2
SCHEMBL15747176 0.73 MAOB (0.44) GSTP1MAOBMAOAACHEP2RX3
SCHEMBL4734966 0.72 PARP10 (0.40)
SCHEMBL3204571 0.71 GSTP1 (0.52) GSTP1MAOBMAOAACHECA12
SCHEMBL28399593 0.70 GSTP1 (0.39) GSTP1MAOBMAOAACHECA12

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-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed