SCHEMBL8530281

SCHEMBL8530281

Cc1ccc(C2NCCCC2N)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
KDM1A O60341 7/20 0.34
KCNH2 Q12809 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM1B Q8NB78 1/20 0.33
RIPK1 Q13546 1/20 0.32
TACR1 P25103 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
SCHEMBL8530279 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL8530283 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL15678905 0.86 DPP4 (0.40)
SCHEMBL8529074 0.86 KDM1A (0.38) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL8529070 0.86 KDM1A (0.38) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL8529080 0.86 KDM1A (0.38) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL8531166 0.82 ABCC9 (0.35) KDM1AKCNH2KDM1BTACR1
SCHEMBL8531160 0.82 ABCC9 (0.35) KDM1AKCNH2KDM1BTACR1
SCHEMBL8531161 0.82 ABCC9 (0.35) KDM1AKCNH2KDM1BTACR1
SCHEMBL6669105 0.78 MAPT (0.40) KDM1A

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 3 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
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed