SCHEMBL4637798

SCHEMBL4637798

OC(C#Cc1ccccc1)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 3/20 0.37
TSHR P16473 1/20 0.36
PTGER4 P35408 2/20 0.35
GRM2 Q14416 2/20 0.35
ADORA3 P0DMS8 2/20 0.34
CYP19A1 P11511 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
TACR1 P25103 5/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4637803 0.94 CDC7 (0.37) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4638500 0.94 POLB (0.41) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4639384 0.88 GRM2 (0.37) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4638930 0.88 ALDH1A1 (0.38) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4639416 0.87 GRM2 (0.39) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4638086 0.81 TACR1 (0.39) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4637826 0.78 ALDH1A1 (0.47) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4637719 0.77 GRM2 (0.39) ALDH1A1GAAPOLBTSHRPTGER4
SCHEMBL4638488 0.75 ALDH1A1 (0.44) ALDH1A1GAAPOLBTSHRGRM2
SCHEMBL4638520 0.74 ALDH1A1 (0.44) ALDH1A1GAAPOLBTSHRGRM2

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-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed