SCHEMBL8029650

SCHEMBL8029650

COc1cccc(CN2CCN(CC3CCc4ccccc4O3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.71
HTR1A P08908 4/20 0.71
ADRA2A P08913 1/20 0.71
ADRA2B P18089 1/20 0.71
ADRA2C P18825 1/20 0.71
DRD2 P14416 1/20 0.49
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL8029651 0.88 SIGMAR1 (0.76) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL31061719 0.84 SIGMAR1 (1.00) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8031431 0.84 SIGMAR1 (1.00) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8029628 0.80 SIGMAR1 (0.81) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8033233 0.79 SIGMAR1 (0.76) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8035829 0.79 HTR1A (0.65) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8029620 0.79 SIGMAR1 (0.71) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8029887 0.78 SIGMAR1 (0.83) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8031447 0.78 SIGMAR1 (0.81) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8035775 0.78 SIGMAR1 (0.81) SIGMAR1HTR1AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1054848-C New benzopyran derivatives, their process of preparation and pharmaceutical compositions which contain them ADIR (FR) 2000-07-26 CN disclosed
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
CN-1132202-A New benzopyran derivatives, their process of preparation and pharmaceutical compositions which contain them ADIR (FR) 1996-10-02 CN disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed