SCHEMBL8035809

SCHEMBL8035809

CCC(CN1CCN(Cc2ccccc2)CC1)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
TRPV4 Q9HBA0 1/20 0.47
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
DRD4 P21917 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MCHR1 Q99705 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL8020090 0.80 SIGMAR1 (0.42) SIGMAR1ALDH1A1LMNAHTTDRD4
SCHEMBL8031455 0.79 SIGMAR1 (0.53) SIGMAR1ALDH1A1LMNAHTTDRD4
SCHEMBL8035752 0.79 PPARA (0.55) SIGMAR1TRPV4PPARAALDH1A1LMNA
SCHEMBL8033268 0.77 KDM4E (0.45) ALDH1A1HTTBCHEACHEDRD4
SCHEMBL18177902 0.76 CYP2D6 (0.73) ALDH1A1LMNAHTTKMT2ACYP1A2
SCHEMBL8020085 0.75 LMNA (0.59) SIGMAR1ALDH1A1LMNAACHEBACE1
SCHEMBL8029654 0.74 IGF1R (0.55) SIGMAR1ALDH1A1LMNAHTTKDM4E
SCHEMBL5752956 0.74 KDM4E (0.54) SIGMAR1ALDH1A1HTTKDM4EKMT2A
SCHEMBL8029891 0.74 SIGMAR1 (0.50) SIGMAR1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL8029632 0.73 SIGMAR1 (0.56) SIGMAR1TRPV4ALDH1A1LMNAHTT

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