SCHEMBL8020087

SCHEMBL8020087

CCOc1ccc(OC(C)CN2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
PKM P14618 1/20 0.60
LTA4H P09960 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
FAAH O00519 1/20 0.54
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL8020088 0.90 LTA4H (0.57) MAPK1PKMLTA4HSMN1; SMN2LMNA
SCHEMBL8029920 0.89 LTA4H (0.65) LTA4HLMNAHTTKDM4EMEN1
SCHEMBL8020078 0.88 LTA4H (0.65) MAPK1LTA4HSMN1; SMN2LMNAMAPT
SCHEMBL8035719 0.86 LTA4H (0.63) LTA4HKDM4EALDH1A1FAAHATM
SCHEMBL8029621 0.85 LTA4H (0.61) LTA4HSMN1; SMN2LMNAMAPTHTT
SCHEMBL8035796 0.83 SIGMAR1 (0.68) MAPK1PKMLTA4HSMN1; SMN2LMNA
SCHEMBL8029900 0.82 LTA4H (0.57) MAPK1LTA4HLMNAMAPTL3MBTL1
SCHEMBL8029611 0.82 PKM (0.67) MAPK1PKMSMN1; SMN2LMNAHTT
SCHEMBL8035768 0.81 SIGMAR1 (0.57) LTA4HSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL8029940 0.77 SIGMAR1 (0.52) LTA4HSMN1; SMN2HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed