SCHEMBL8615518

SCHEMBL8615518

COc1ccc(OC)c2c1CCC(N)(CN)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.40
RBP1 P09455 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ADRA2A P08913 1/20 0.34
S1PR1 P21453 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL9251629 0.87 ADRA1A (0.32) ADRA1AKDM4EALDH1A1HPGDS1PR1
SCHEMBL8616402 0.83 ADRA2A (0.49) ADRA2ADRD2DRD3
SCHEMBL7928877 0.76 CYP1A2 (0.42) ADRA1ARBP1KDM4ES1PR1
SCHEMBL7917723 0.76 S1PR1 (0.42) ADRA1ARBP1S1PR1
SCHEMBL28449241 0.71 ADRA1A (0.38) ADRA1ARBP1KDM4EALDH1A1HPGD
SCHEMBL28054318 0.71 ADRA1A (0.38) ADRA1ARBP1KDM4EALDH1A1HPGD
SCHEMBL11010508 0.71 ADRA1A (0.38) ADRA1ARBP1KDM4EALDH1A1HPGD
SCHEMBL28456745 0.70 KDM4E (0.38) ADRA1ARBP1KDM4EALDH1A1HPGD
SCHEMBL28456741 0.70 KDM4E (0.38) ADRA1ARBP1KDM4EALDH1A1HPGD
SCHEMBL8615836 0.69 DRD2 (0.41) ALDH1A1HPGDGLAS1PR1DRD2

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-0635496-B1 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-04-29 EP disclosed
US-5464859-A Alpha adrenergic antagonist ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
EP-0635496-A2 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-01-25 EP disclosed