SCHEMBL6986644

SCHEMBL6986644

COc1ccc(C(=O)c2cccc(NCC(=O)NCC3CCN(C4CCCC4)CC3)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
FAAH O00519 1/20 0.42
ACHE P22303 1/20 0.42
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
TACR1 P25103 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
SCHEMBL6989019 0.87 FAAH (0.42) F10FAAHACHEALDH1A1KMT2A
SCHEMBL6986612 0.85 HTR4 (0.43) FAAHACHECHRM2CHRM4CHRM1
SCHEMBL6985512 0.82 KDM4E (0.45) F10CHRM2ALDH1A1
SCHEMBL6984041 0.78 ROCK2 (0.43) F10FAAHACHEALDH1A1LMNA
SCHEMBL6987182 0.78 FAAH (0.43) F10FAAHACHEALDH1A1LMNA
SCHEMBL6986879 0.78 KMT2A (0.42) F10ACHECHRM2CHRM1ALDH1A1
SCHEMBL6985205 0.77 ROCK2 (0.42) F10FAAHACHEALDH1A1LMNA
Hydrochloric Acid SCHEMBL6984317 0.77 ROCK2 (0.44) F10FAAHACHEALDH1A1LMNA
SCHEMBL6982360 0.77 HTR4 (0.42) F10FAAHACHEALDH1A1LMNA
Hydrochloric Acid SCHEMBL6984942 0.77 ROCK2 (0.42) F10FAAHACHEALDH1A1LMNA

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