SCHEMBL8029621

SCHEMBL8029621

CC(CN1CCN(Cc2ccccc2)CC1)Oc1ccc(C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
SIGMAR1 Q99720 4/20 0.52
ATM Q13315 1/20 0.52
IGF1R P08069 1/20 0.51
FAAH O00519 2/20 0.51
HTT P42858 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
BCHE P06276 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL8035719 0.90 LTA4H (0.63) LTA4HALDH1A1KDM4ESIGMAR1ATM
SCHEMBL8029920 0.90 LTA4H (0.65) LTA4HKDM4ESIGMAR1ATMIGF1R
SCHEMBL8020078 0.86 LTA4H (0.65) LTA4HALDH1A1KDM4ESIGMAR1ATM
SCHEMBL8020087 0.85 MAPK1 (0.60) LTA4HALDH1A1KDM4ESIGMAR1ATM
SCHEMBL8035796 0.84 SIGMAR1 (0.68) LTA4HALDH1A1KDM4ESIGMAR1FAAH
SCHEMBL8020088 0.83 LTA4H (0.57) LTA4HALDH1A1KDM4ESIGMAR1ATM
SCHEMBL8029900 0.83 LTA4H (0.57) LTA4HSIGMAR1ATMFAAHLMNA
SCHEMBL8029605 0.81 MEN1 (0.58) ALDH1A1KDM4EFAAHHTTHRH3
SCHEMBL8033271 0.81 KDM4E (0.48) LTA4HALDH1A1KDM4EATMIGF1R
SCHEMBL8035768 0.79 SIGMAR1 (0.57) LTA4HALDH1A1KDM4ESIGMAR1ATM

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