SCHEMBL9633955

SCHEMBL9633955

c1ccc2c(C3=NCCCC3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 9/20 0.52
CHRNA3 P32297 9/20 0.52
NISCH Q9Y2I1 1/20 0.47
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 2/20 0.44
CHRNA7 P36544 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.40
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL28298381 0.95 NISCH (0.49) CHRNB4CHRNA3NISCHTSHRMAPT
SCHEMBL28299798 0.86 HPRT1 (0.47) CHRNB4CHRNA3NISCHTSHRMAPT
Nitric Acid SCHEMBL29203949 0.83 NISCH (0.40) CHRNB4CHRNA3NISCHTSHRMAPT
SCHEMBL23658900 0.80 NISCH (0.40) CHRNB4CHRNA3NISCHTSHRMAPT
SCHEMBL30812588 0.76 CHRNB4 (0.57) CHRNB4CHRNA3NISCHTSHRMAPT
SCHEMBL24672520 0.76 CHRNB4 (0.57) CHRNB4CHRNA3NISCHTSHRMAPT
SCHEMBL25282712 0.74 CHRNB4 (0.55) CHRNB4CHRNA3TSHRMAPTGFER
SCHEMBL20508918 0.74 CHRNB4 (0.55) CHRNB4CHRNA3TSHRMAPTGFER
SCHEMBL4719879 0.74 NISCH (0.46) NISCHTSHRMAPTLMNAGAA
SCHEMBL31544140 0.73 PIK3CD (0.47) CHRNB4CHRNA3TSHRMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132459-A Fungicides SANDOZ LTD. (CH) 1992-07-21 US disclosed
US-4755534-A Propenylamines, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ LTD. (CH) 1988-07-05 US disclosed
EP-0024587-B1 PROPENYLAMINES, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1984-11-14 EP disclosed
EP-0024587-A1 Propenylamines, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1981-03-11 EP disclosed