SCHEMBL7700873

SCHEMBL7700873

c1ccc2c(C3CCN(CCC4CCNCC4)CC3)c[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.65
HTR2C P28335 2/20 0.64
ADRB2 P07550 1/20 0.64
SLC6A4 P31645 1/20 0.62
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
DRD3 P35462 1/20 0.61

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
Hydrochloric Acid SCHEMBL7259921 0.91 ADRA1D (0.70) ADRA1DHTR2CADRB2SLC6A4
SCHEMBL13261751 0.88 HTR2C (0.68) ADRA1DHTR2CADRB2SLC6A4
SCHEMBL14306777 0.86 ADRA1D (0.80) ADRA1DSLC6A4
SCHEMBL2488545 0.82 ADRA1D (0.67) ADRA1DSLC6A4
SCHEMBL2488547 0.82 ADRA1D (0.67) ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL7259157 0.82 ADRA1D (0.90) ADRA1DSLC6A4
SCHEMBL11969517 0.81 ADRA1D (0.65) ADRA1DSLC6A4
SCHEMBL11969519 0.81 ADRA1D (0.65) ADRA1DSLC6A4
SCHEMBL6383575 0.81 ADRA1D (0.72) ADRA1DSLC6A4DRD2
SCHEMBL4468600 0.81 ADRA1D (0.72) ADRA1DSLC6A4

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
WO-2002079190-A1 3-SUBSTITUTED INDOLES AS CHEMOKINE ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-10 WO disclosed