SCHEMBL8029908

SCHEMBL8029908

CCCC(CN1CCN(Cc2ccccc2)CC1)Oc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
FAAH O00519 2/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CACNA1G O43497 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL8029639 0.89 SIGMAR1 (0.50) SIGMAR1ALDH1A1KDM4ETDP1MEN1
SCHEMBL8029642 0.87 SIGMAR1 (0.54) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8031421 0.82 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL8020084 0.80 FAAH (0.54) SIGMAR1FAAHMAPTTSHRALDH1A1
SCHEMBL8035801 0.80 NPC1 (0.46) SIGMAR1ALDH1A1KDM4ETDP1GAA
SCHEMBL8029877 0.80 SIGMAR1 (0.50) SIGMAR1FAAHTSHRALDH1A1KDM4E
SCHEMBL8031455 0.79 SIGMAR1 (0.53) SIGMAR1ALDH1A1KDM4ETDP1HTT
SCHEMBL8029891 0.78 SIGMAR1 (0.50) SIGMAR1FAAHTSHRALDH1A1KDM4E
SCHEMBL8033363 0.77 HRH3 (0.49) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL8035814 0.77 SIGMAR1 (0.49) SIGMAR1ALDH1A1KDM4ETDP1MEN1

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