SCHEMBL28811006

SCHEMBL28811006

O=C(O)N1CC=C(C#Cc2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.47
FFAR1 O14842 2/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL8675743 0.88 GRM5 (0.49) GRM5
SCHEMBL19989696 0.80 GRM5 (0.69) GRM5
SCHEMBL2285672 0.79 GRM5 (0.42) GRM5ALDH1A1SMN1; SMN2
SCHEMBL2290995 0.77 GRM5 (0.44) GRM5DRD2DRD4DRD3ALDH1A1
SCHEMBL8672609 0.77 GRM5 (0.47) GRM5
SCHEMBL2892482 0.76 GRM5 (0.43) GRM5ALDH1A1SMN1; SMN2
SCHEMBL4048946 0.76 GRM5 (0.42) GRM5
SCHEMBL4536276 0.76 GRM5 (0.40) GRM5
SCHEMBL5090735 0.76 GRM5 (0.43) GRM5HAO1
SCHEMBL1856104 0.75 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2

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
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed