SCHEMBL8354074

SCHEMBL8354074

COC(=O)c1sccc1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.68
▸ LMNA P02545 6/20 0.68
▸ TSHR P16473 4/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ MAPK1 P28482 3/20 0.68
▸ MAPK10 P53779 3/20 0.68
▸ ALDH1A1 P00352 6/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ POLB P06746 3/20 0.61
▸ HTR1A P08908 1/20 0.58
▸ HTR7 P34969 1/20 0.58
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ GAA P10253 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPK8 P45983 1/20 0.53
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4C Q9H3R0 1/20 0.49

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
Hydrochloric Acid SCHEMBL8351225 0.99 MAPT (0.67) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL8351326 0.81 MAPT (0.62) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL8354500 0.79 MAPT (0.61) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL6622383 0.79 ALDH1A1 (0.61) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL8356499 0.78 MAPK1 (0.61) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL8358322 0.78 TSHR (0.71) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL8358036 0.77 POLB (0.72) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL8351821 0.77 MAPK10 (0.56) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL31531433 0.76 MAPK10 (0.69) MAPTLMNATSHRHSD17B10MAPK1
SCHEMBL10763099 0.75 ALDH1A1 (0.73) MAPTLMNATSHRHSD17B10MAPK1

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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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