SCHEMBL8530406

SCHEMBL8530406

Cc1ccc(C2[CH]CCCN2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
NISCH Q9Y2I1 1/20 0.35
RIPK1 Q13546 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL8531757 0.85 KDM1A (0.37) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4
SCHEMBL8531187 0.83 ABCC9 (0.34)
SCHEMBL8533494 0.76 PRCP (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL8533774 0.76 MAPT (0.42)
SCHEMBL7480391 0.76 PRCP (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL8530249 0.74 HTR2A (0.37) RIPK1
SCHEMBL2708051 0.73 L3MBTL1 (0.44) CHRNB2CHRNA4
SCHEMBL8530281 0.70 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3NISCHRIPK1
SCHEMBL8530283 0.70 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3NISCHRIPK1
SCHEMBL8530279 0.70 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3NISCHRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed