SCHEMBL4406958

SCHEMBL4406958

O=C1C[C@@H](c2cc(F)c(F)c(F)c2)CN1Cn1ccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G7 Q13093 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA1A P35348 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GRM5 P41594 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
SCHEMBL660440 1.00 HPGD (0.38) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2
SCHEMBL2361897 0.90 HPGD (0.32) HPGDTSHRPLA2G7
SCHEMBL662188 0.83 PLA2G7 (0.42) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2
SCHEMBL661630 0.82 TYMP (0.38) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2
SCHEMBL662247 0.81 TSHR (0.38) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2
SCHEMBL20556066 0.80 PLA2G7 (0.32) PLA2G7
Plosaracetam SCHEMBL24390914 0.79 HPGD (0.35) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2
Plosaracetam SCHEMBL16431938 0.79 HPGD (0.35) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2
SCHEMBL660197 0.79 HPGD (0.38) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2
SCHEMBL663012 0.77 HPGD (0.35) HPGDTSHRPLA2G7ALDH1A1SMN1; SMN2

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-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed