SCHEMBL6983299

SCHEMBL6983299

CCOc1c(NCC(=O)NCC2CCN(C(C)C)CC2)cccc1C(=O)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
FAAH O00519 1/20 0.41
ACHE P22303 1/20 0.41
ROCK2 O75116 3/20 0.41
HTR4 Q13639 2/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL6984942 0.93 ROCK2 (0.42) F10FAAHACHEROCK2HTR4
SCHEMBL6986867 0.91 ROCK2 (0.41) F10FAAHACHEROCK2HTR4
SCHEMBL6988472 0.91 FAAH (0.46) F10FAAHACHEROCK2ALDH1A1
SCHEMBL6987673 0.90 FAAH (0.43) F10FAAHACHEROCK2HTR4
SCHEMBL6984041 0.89 ROCK2 (0.43) F10FAAHACHEROCK2HTR4
SCHEMBL6987886 0.88 ROCK2 (0.41) F10FAAHACHEROCK2HTR4
SCHEMBL6987182 0.88 FAAH (0.43) F10FAAHACHEROCK2HTR4
SCHEMBL6982360 0.87 HTR4 (0.42) F10FAAHACHEROCK2HTR4
SCHEMBL6985205 0.87 ROCK2 (0.42) F10FAAHACHEROCK2HTR4
SCHEMBL6989019 0.87 FAAH (0.42) F10FAAHACHEROCK2HTR4

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