SCHEMBL8029632

SCHEMBL8029632

CC(C)(CN1CCN(Cc2ccccc2)CC1)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
TRPV4 Q9HBA0 1/20 0.52
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
DRD4 P21917 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
MCHR1 Q99705 1/20 0.43
MC4R P32245 1/20 0.43
MAPT P10636 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
SCHEMBL8029636 0.82 SIGMAR1 (0.59) SIGMAR1ALDH1A1LMNADRD4KDM4E
SCHEMBL8029595 0.80 LMNA (0.53) SIGMAR1TRPV4ALDH1A1LMNAHTT
SCHEMBL8020121 0.78 SIGMAR1 (0.56) SIGMAR1ALDH1A1LMNADRD4KDM4E
SCHEMBL8035809 0.73 SIGMAR1 (0.53) SIGMAR1TRPV4ALDH1A1LMNAHTT
SCHEMBL8033296 0.72 SIGMAR1 (0.52) SIGMAR1ALDH1A1DRD4KDM4EMC4R
SCHEMBL8035713 0.72 MAPK1 (0.57) SIGMAR1ALDH1A1LMNAHTTDRD4
SCHEMBL13036529 0.71 SIGMAR1 (0.69) SIGMAR1ALDH1A1LMNADRD4KDM4E
SCHEMBL8020027 0.71 SIGMAR1 (0.55) SIGMAR1ALDH1A1HTTKDM4EMAPT
SCHEMBL18177902 0.71 CYP2D6 (0.73) ALDH1A1LMNAHTT
SCHEMBL8033351 0.70 SIGMAR1 (0.68) SIGMAR1ALDH1A1LMNAKDM4E

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
EP-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US 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