SCHEMBL9701510

SCHEMBL9701510

S=C1c2ccccc2C2(c3cccc4c3ccc3ccccc34)SCCCN12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.33
HPRT1 P00492 2/20 0.33
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL9210497 0.85 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2
SCHEMBL9215403 0.79 TDP1 (0.36) SLC6A3HPRT1
SCHEMBL9699426 0.79 SLC6A4 (0.40) SLC6A3SLC6A4SLC6A2
SCHEMBL9195253 0.78 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2
SCHEMBL9214501 0.77 KDM4E (0.33) SLC6A3
SCHEMBL9701779 0.71 NPC1 (0.34)
SCHEMBL6362219 0.70 SLC6A3 (0.40) SLC6A3SLC6A4
SCHEMBL6362220 0.70 SLC6A3 (0.40) SLC6A3SLC6A4
SCHEMBL9700348 0.69 CES1 (0.36) SLC6A3
SCHEMBL9211283 0.69 NPC1 (0.35) SLC6A3SLC6A4SLC6A2

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-1992015310-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES BOEHRINGER MANNHEIM GMBH (DE) 1992-09-17 WO disclosed