SCHEMBL6765314

SCHEMBL6765314

CCOC(=O)c1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51
KCNH2 Q12809 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
TBXAS1 P24557 1/20 0.43

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
SCHEMBL6560708 0.88 MAPT (0.56) CHEK2TDP1L3MBTL1KMT2AMAPT
SCHEMBL8902416 0.84 MAPT (0.57) CHEK2TDP1L3MBTL1KMT2AMAPT
SCHEMBL3866051 0.84 CHEK2 (0.56) CHEK2KMT2AHRH2HRH1
SCHEMBL5706378 0.83 CHEK2 (0.55) CHEK2HRH2HRH1
Hydrochloric Acid SCHEMBL6561583 0.83 CHEK2 (0.55) CHEK2KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL6560096 0.81 CHEK2 (0.54) CHEK2HRH2HRH1
SCHEMBL6004777 0.81 CHEK2 (0.54) CHEK2HRH2HRH1
SCHEMBL7317389 0.81 KCNH2 (0.56) HRH3KCNH2TDP1L3MBTL1MAPT
SCHEMBL6704387 0.81 HSP90AA1 (0.41) CHEK2HRH3KMT2A
SCHEMBL11447883 0.81 LTA4H (0.50) CHEK2HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713494-B1 SUCH AS 6-HYDROXY-2-(4-HYDROXYPHENYL)-3-(4-(2-PIPERIDINYL-ETHOXY)BENZOYL)BENZOTHIOPHENE HYDROCHLORIDE SALT; OSTEO-POROSIS ELI LILLY AND COMPANY 2004-03-30 US disclosed
EP-0826682-B1 Amorphous Bentothiophene, method of preparation and method of use. LILLY CO ELI (US) 2003-03-12 EP disclosed
WO-1998008513-A1 AMORPHOUS BENZOTHIOPHENES, METHODS OF PREPARATION, AND METHODS OF USE ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0826682-A1 Amorphous benzothiophenes, methods of preparation, and methods of use ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed