SCHEMBL12527096

SCHEMBL12527096

CCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 6/20 0.70
▸ CHRNA1 P02708 2/20 0.70
▸ CHRNG P07510 2/20 0.70
▸ CHRNB1 P11230 2/20 0.70
▸ GRIA1 P42261 8/20 0.67
▸ CHRNB2 P17787 1/20 0.66
▸ CHRNB4 P30926 1/20 0.66
▸ CHRNA3 P32297 1/20 0.66
▸ CHRNA4 P43681 1/20 0.66
▸ GRIN1 Q05586 1/20 0.66
▸ GRIN2A Q12879 1/20 0.66
▸ GRM1 Q13255 1/20 0.66

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
SCHEMBL21346955 0.91 GRIA1 (0.74) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6574815 0.88 PTPN1 (0.66) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6574821 0.88 PTPN1 (0.66) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL23086284 0.87 PTPN1 (0.68) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6020146 0.84 CTSL (0.67) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL19619302 0.83 CHRND (0.56) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL15788809 0.83 CHRND (0.59) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6021465 0.83 CTSL (0.54) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14761409 0.83 CHRNB2 (0.64) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14765234 0.83 CHRNB2 (0.64) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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
WO-2012121610-A1 IN VIVO METHODS OF MONITORING BIODISTRIBUTION BOVIN NIKOLAI VLADIMIROVICH (RU) 2012-09-13 — — WO disclosed
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