SCHEMBL6984041

SCHEMBL6984041

COc1ccc(C(=O)c2cccc(NCC(=O)NCC3CCN(C(C)C)CC3)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.43
FAAH O00519 1/20 0.42
ACHE P22303 1/20 0.42
HTR4 Q13639 3/20 0.41
F10 P00742 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6987182 0.92 FAAH (0.43) ROCK2FAAHACHEHTR4F10
SCHEMBL6985205 0.91 ROCK2 (0.42) ROCK2FAAHACHEHTR4F10
SCHEMBL6989019 0.91 FAAH (0.42) ROCK2FAAHACHEHTR4F10
Hydrochloric Acid SCHEMBL6984942 0.91 ROCK2 (0.42) ROCK2FAAHACHEHTR4F10
Hydrochloric Acid SCHEMBL6984317 0.91 ROCK2 (0.44) ROCK2FAAHACHEHTR4F10
SCHEMBL6982360 0.91 HTR4 (0.42) ROCK2FAAHACHEHTR4F10
SCHEMBL6987886 0.91 ROCK2 (0.41) ROCK2FAAHACHEHTR4F10
SCHEMBL6986867 0.90 ROCK2 (0.41) ROCK2FAAHACHEHTR4F10
SCHEMBL6986160 0.90 ROCK2 (0.41) ROCK2FAAHACHEHTR4F10
SCHEMBL6985303 0.89 ROCK2 (0.41) ROCK2FAAHACHEHTR4F10

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