SCHEMBL9425922

SCHEMBL9425922

CC(=O)N1CCC(=O)C(C#N)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.35
NOTUM Q6P988 1/20 0.34
CHRNB2 P17787 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
CHRNB4 P30926 2/20 0.32
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTAFR P25105 1/20 0.30
EPHX2 P34913 2/20 0.30
EPHX1 P07099 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
DPP4 P27487 1/20 0.30
CHRNA7 P36544 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
SCHEMBL2922571 0.84 USP30 (0.30)
SCHEMBL9426059 0.82 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB4CYP1A2
SCHEMBL1290235 0.79 MAPT (0.46) EPHX1ALDH1A1
SCHEMBL9381187 0.76 BPTF (0.33) BPTFNOTUMCHRNB2CHRNA3CHRNA4
SCHEMBL9425981 0.75 HPGD (0.45) CHRNB2CHRNA3CHRNA4CHRNB4EPHX1
SCHEMBL34474060 0.74 POLB (0.45) CYP1A2ALDH1A1MAPK1DPP4
SCHEMBL12801362 0.74 NOTUM (0.38) NOTUMCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2378450 0.74 NOTUM (0.38) NOTUMCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL8023032 0.73 NOTUM (0.37) NOTUMCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL3668228 0.73 NOTUM (0.37) NOTUMCHRNB2CHRNA3CHRNA4CHRNB3

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-5296603-A 3-amino-5-o-chlorobenzyl-4,5,6,7-tetrahydrothieno[3,2-c]-pyridine-2-carboxylic acid compounds FUJI PHOTO FILM CO., LTD. (JP) 1994-03-22 US disclosed
EP-0573975-A1 2-alkoxycarbonyl-5-o-chlorobenzyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine derivative and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-12-15 EP disclosed
EP-0573955-A1 3-Amino-5-o-chlorobenzyl-4,5,6,7-tetrahydrothieno[3,2-c]-pyridine-2-carboxylic acid derivative and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-12-15 EP disclosed