SCHEMBL9157396

SCHEMBL9157396

COc1cccc(CN2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
PPARA Q07869 3/20 0.48
PPARG P37231 1/20 0.48
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.44

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 SCHEMBL9426249 0.99 FAAH (0.52) FAAHMEN1KMT2AALDH1A1KDM4E
SCHEMBL9159580 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9426435 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9154438 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4ERECQL
Hydrochloric Acid SCHEMBL9425757 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4ERECQL
SCHEMBL9426865 0.82 FAAH (0.58) FAAHMEN1KMT2AALDH1A1KDM4E
SCHEMBL9426204 0.78 KMT2A (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9299417 0.75 PPARA (0.74) PPARAPPARGATM
SCHEMBL9299418 0.75 PPARA (0.74) PPARAPPARGATM
SCHEMBL9426863 0.74 FAAH (0.60) FAAHMEN1KMT2AALDH1A1KDM4E

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
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