SCHEMBL9254476

SCHEMBL9254476

Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)on1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CPT1A P50416 1/20 0.43
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP30 Q70CQ3 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8121446 0.96 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8114296 0.96 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9262978 0.93 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9262974 0.93 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9264718 0.83 SCD5 (0.49) EPHX2ALDH1A1NPSR1LMNAMAPT
SCHEMBL8113249 0.83 MEN1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21163196 0.82 ALDH1A1 (0.44) EPHX2ALDH1A1NPSR1LMNAMAPT
SCHEMBL8139425 0.82 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAMAPTTSHR
SCHEMBL8121245 0.82 ALDH1A1 (0.48) EPHX2ALDH1A1NPSR1LMNAMAPT
SCHEMBL9264284 0.82 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAMAPTTSHR

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-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 US disclosed