SCHEMBL8450841

SCHEMBL8450841

O=C1C[C@@H]2CCCC[C@@H]2N1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAP3K14 Q99558 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
PARP1 P09874 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGB2 P05107 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL10758827 1.00 ALDH1A1 (0.37) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL785503 1.00 ALDH1A1 (0.37) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL6685775 1.00 ALDH1A1 (0.37) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL5560867 1.00 ALDH1A1 (0.37) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL5560865 1.00 ALDH1A1 (0.37) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL24311746 0.98 MAPT (0.36) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL17974614 0.98 MAPT (0.36) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL19671609 0.98 MAPT (0.36) ALDH1A1PKMLMNATSHRMAP3K14
SCHEMBL3738614 0.95
SCHEMBL22556208 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354875-B1 Method for synthesis of (2S,3aS,7aS)-perhydroindole-2-carboxylic acid and esters thereof; and use in the synthesis of perindopril SERVIER LAB (FR) 2004-11-24 EP disclosed
EP-1354875-A1 Method for synthesis of (2S,3aS,7aS)-perhydroindole-2-carboxylic acid and esters thereof; and use in the synthesis of perindopril Les Laboratoires Servier (FR) 2003-10-22 EP disclosed