SCHEMBL7415474

SCHEMBL7415474

Cc1ccc(C=CCC2CCCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KDM1A O60341 1/20 0.42
PDE8B O95263 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
MAPT P10636 1/20 0.40
ATM Q13315 2/20 0.40
TP53 P04637 1/20 0.39
OPRD1 P41143 1/20 0.38
NPC1 O15118 1/20 0.38
CHEK2 O96017 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 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
SCHEMBL7415471 1.00 KMT2A (0.44) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7421452 0.90 ALDH1A1 (0.44) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7417752 0.90 HRH3 (0.47) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7421448 0.90 ALDH1A1 (0.44) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7417755 0.90 HRH3 (0.47) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7816624 0.90 MEN1 (0.54) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7417065 0.90 MEN1 (0.54) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7416272 0.89 PTGS2 (0.46) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7416274 0.89 PTGS2 (0.46) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL7415661 0.88 HRH3 (0.51) KMT2ALMNAL3MBTL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734379-B1 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF PARKE DAVIS (FR) 2001-03-07 EP disclosed
EP-0995436-A2 Ligands for sigma receptors and their therapeutical applications PARKE-DAVIS (FR) 2000-04-26 EP disclosed
US-6013656-A PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-01-11 US disclosed
US-5849760-A 2-(arylalkenyl)azacycloalkane derivatives as ligands for sigma receptors INSTITUT DE RECHERCHE JOUVEINAL (FR) 1998-12-15 US disclosed
WO-1995015948-A1 NOVEL 2-ARYLALKENYL-AZACYCLOALKANE DERIVATIVES AS SIGMA RECEPTOR LIGANDS, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF INSTITUT DE RECHERCHE JOUVEINAL (FR) 1995-06-15 WO disclosed