SCHEMBL9154438

SCHEMBL9154438

COc1ccc(CN2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)OCc3ccccc3)CC2)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HTT P42858 1/20 0.51
CYP2C19 P33261 1/20 0.48
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
KDM4E B2RXH2 5/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TGM2 P21980 1/20 0.43
RECQL P46063 1/20 0.42

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
Hydrochloric Acid SCHEMBL9425757 0.99 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9425893 0.90 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9425617 0.90 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9425638 0.90 ALDH1A1 (0.55) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9160841 0.89 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9156987 0.89 ALDH1A1 (0.55) ALDH1A1HTTCYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL9426072 0.89 ALDH1A1 (0.50) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9426122 0.88 ALDH1A1 (0.53) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9426464 0.88 ALDH1A1 (0.55) ALDH1A1HTTCYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL9426160 0.88 ALDH1A1 (0.55) ALDH1A1HTTCYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533516-B1 Amides of 1-(alkoxybenzyl)piperazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-02-08 EP claimed
US-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 US claimed
EP-0533516-A2 Amides of 1-(alkoxybenzyl)piperazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP claimed
EP-0533516-B1 Amides of 1-(alkoxybenzyl)piperazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-02-08 EP disclosed
US-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 US disclosed
EP-0533516-A2 Amides of 1-(alkoxybenzyl)piperazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP disclosed