SCHEMBL8020106

SCHEMBL8020106

Fc1ccc2c(c1)CC(CN1CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.59
HTR1A P08908 2/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
HRH3 Q9Y5N1 9/20 0.57
ABCB1 P08183 2/20 0.57
HRH4 Q9H3N8 1/20 0.54
TMEM97 Q5BJF2 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL8029855 0.84 SIGMAR1 (0.76) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL15707823 0.80 HRH3 (0.67) SIGMAR1HRH3ABCB1HRH4DRD2
SCHEMBL8029610 0.78 AIMP2 (0.53) SIGMAR1
SCHEMBL15707813 0.78 HRH3 (0.51) SIGMAR1HRH3ABCB1HRH4DRD2
SCHEMBL15740462 0.77 HRH3 (0.50) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL20274162 0.76 HRH3 (0.49) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL15750188 0.76 HRH3 (0.49) HRH3ABCB1HRH4DRD2
SCHEMBL8031447 0.76 SIGMAR1 (0.81) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL31061719 0.74 SIGMAR1 (1.00) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8031431 0.74 SIGMAR1 (1.00) 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 8 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 claimed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP claimed
JP-8081451-A None JP disclosed
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
JP-H0881451-A NOVEL BENZOPYRAN DERIVATIVE, ITS PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ADIR 1996-03-26 JP disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed