SCHEMBL7320733

SCHEMBL7320733

O=C(NCCCN1CCN(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.61
DRD2 P14416 5/20 0.61
ADRA1A P35348 5/20 0.61
SLC6A4 P31645 5/20 0.54
SLC6A2 P23975 3/20 0.54
HTR7 P34969 2/20 0.53
POLB P06746 2/20 0.53
DRD4 P21917 1/20 0.52

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
SCHEMBL7316591 0.88 AKR1C3 (0.58)
SCHEMBL7323404 0.88 AKR1C3 (0.58)
SCHEMBL8366229 0.84 AKR1C3 (0.53)
SCHEMBL8364333 0.84 AKR1C3 (0.53)
SCHEMBL9235211 0.83 HTR7 (0.58) DRD3DRD2HTR7POLB
SCHEMBL8366252 0.83 AKR1C3 (0.52)
SCHEMBL10724572 0.80 DRD3 (0.78) DRD3DRD2ADRA1ASLC6A4SLC6A2
SCHEMBL7322835 0.79 MEN1 (0.58) POLB
SCHEMBL27702845 0.78 KDM1A (0.65) POLB
SCHEMBL7320774 0.76 AKR1C3 (0.51) DRD3HTR7

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
US-5612378-A TREATING THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS OR INFLAMMATION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-03-18 US disclosed