SCHEMBL7359351

SCHEMBL7359351

COc1ccc(CCOc2cc(NC(C)=O)c(Cl)cc2C(=O)CCCCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.47
SCN9A Q15858 1/20 0.45
CHEK1 O14757 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
AGER Q15109 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7350242 0.90 SMN1; SMN2 (0.43) MGAT2ALDH1A1MAPTLMNAKMT2A
SCHEMBL7352264 0.90 KDM4E (0.52) CHEK1NPC1RAB9AALDH1A1KDM4E
SCHEMBL7355259 0.84 AGER (0.53) RAB9AALDH1A1KDM4EMAPTLMNA
SCHEMBL7348962 0.84 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KDM4ECYP1A2
SCHEMBL8971536 0.83 MGAT2 (0.44) MGAT2SCN9ACHEK1ALDH1A1KDM4E
SCHEMBL7354465 0.82 SMN1; SMN2 (0.42) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL7358509 0.81 AGER (0.57) RAB9AALDH1A1KDM4EMAPTLMNA
SCHEMBL7350522 0.76 NPC1 (0.53) NPC1RAB9AKDM4ELMNAMEN1
SCHEMBL7360982 0.74 PGK1 (0.39) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8970849 0.72 KDM4E (0.50) CHEK1ALDH1A1KDM4ECYP1A2CYP2C9

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-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
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed