SCHEMBL3382239

SCHEMBL3382239

CCN(CC)CCOc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
GPR84 Q9NQS5 1/20 0.44
HTR1A P08908 3/20 0.43
HTR1D P28221 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
HTR2A P28223 2/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL3563897 0.86 SLC6A4 (0.57) SLC6A4GPR84HTR1AHTR1DHTR7
SCHEMBL3383496 0.84 CYP2D6 (0.45) HTR1AHTR1DHTR6HTR2CHRH3
SCHEMBL3383870 0.75 HTR1D (0.46) HTR1AHTR1DHTR6DRD2DRD3
SCHEMBL1827429 0.75 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1TDP1ALK
SCHEMBL3461673 0.74 SMN1; SMN2 (0.46) SMN1; SMN2KDRPIM3KDM4EALDH1A1
SCHEMBL12713875 0.73 IDO1 (0.60) SLC6A4GPR84HTR1AHTR7HTR6
SCHEMBL31744724 0.73 GPR84 (0.50) SLC6A4GPR84HTR1AHTR1DHTR2A
SCHEMBL2977755 0.73 KDR (0.53) DRD2DRD3BIRC5KDRKDM4E
SCHEMBL12990370 0.70 PTGDR2 (0.55) DRD2DRD3BIRC5KDRKDM4E
SCHEMBL31744744 0.70 SLC6A4 (0.51) SLC6A4GPR84HTR1DHTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149573-A1 Substituted indole sulfonamide compounds their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP disclosed