SCHEMBL8029628

SCHEMBL8029628

Cc1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.81
HTR1A P08908 4/20 0.81
ADRA2A P08913 1/20 0.81
ADRA2B P18089 1/20 0.81
ADRA2C P18825 1/20 0.81
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
DRD4 P21917 3/20 0.48
ABCB1 P08183 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL8031431 0.90 SIGMAR1 (1.00) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL31061719 0.90 SIGMAR1 (1.00) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8029887 0.89 SIGMAR1 (0.83) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8031447 0.88 SIGMAR1 (0.81) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8035775 0.88 SIGMAR1 (0.81) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8029651 0.87 SIGMAR1 (0.76) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8033233 0.85 SIGMAR1 (0.76) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8031492 0.85 SIGMAR1 (0.76) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8029620 0.84 SIGMAR1 (0.71) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8029650 0.80 SIGMAR1 (0.71) 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