SCHEMBL6987653

SCHEMBL6987653

COc1ccc(C(=O)c2cccc(NCC(=O)NCC3CCN(C(C)C)CC3)c2SC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
ACHE P22303 1/20 0.39
ROCK2 O75116 3/20 0.39
HTR4 Q13639 2/20 0.37
F10 P00742 2/20 0.36
PIM1 P11309 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GCGR P47871 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6986160 0.90 ROCK2 (0.41) FAAHACHEROCK2HTR4F10
Hydrochloric Acid SCHEMBL6982358 0.88 ROCK2 (0.41) FAAHACHEROCK2HTR4F10
SCHEMBL6984041 0.87 ROCK2 (0.43) FAAHACHEROCK2HTR4F10
SCHEMBL6987182 0.86 FAAH (0.43) FAAHACHEROCK2HTR4F10
Hydrochloric Acid SCHEMBL6984317 0.85 ROCK2 (0.44) FAAHACHEROCK2HTR4F10
SCHEMBL6985205 0.85 ROCK2 (0.42) FAAHACHEROCK2HTR4F10
SCHEMBL6982360 0.85 HTR4 (0.42) FAAHACHEROCK2HTR4F10
SCHEMBL6989019 0.85 FAAH (0.42) FAAHACHEROCK2HTR4F10
Hydrochloric Acid SCHEMBL6984942 0.85 ROCK2 (0.42) FAAHACHEROCK2HTR4F10
SCHEMBL6987886 0.85 ROCK2 (0.41) FAAHACHEROCK2HTR4F10

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
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed