SCHEMBL7350522

SCHEMBL7350522

CC(=O)Nc1cc(OCc2ccc3c(c2)OCO3)c(C(=O)CCCCCl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CYP3A4 P08684 1/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CACNA1G O43497 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7354465 0.83 SMN1; SMN2 (0.42) CYP3A4LMNAKDM4EHSP90AA1HPGD
SCHEMBL7352264 0.83 KDM4E (0.52) NPC1RAB9ACYP3A4LMNAKDM4E
SCHEMBL7348962 0.79 ALDH1A1 (0.45) NPC1RAB9ACYP3A4LMNAKDM4E
SCHEMBL7355259 0.77 AGER (0.53) RAB9ALMNAKDM4EKMT2ATDP1
SCHEMBL7359351 0.76 MGAT2 (0.47) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL7350242 0.74 SMN1; SMN2 (0.43) LMNAKMT2AHPGDNPSR1SMN1; SMN2
SCHEMBL7358509 0.73 AGER (0.57) RAB9ALMNAKDM4EKMT2ATDP1
SCHEMBL7358836 0.73 HTR4 (0.62) CYP3A4KMT2AHPGDMEN1
SCHEMBL7360982 0.71 PGK1 (0.39) NPC1RAB9ALMNAKDM4ERECQL
SCHEMBL8571141 0.69 CTNNB1 (0.48) NPC1RAB9ALMNAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed