SCHEMBL7355259

SCHEMBL7355259

COc1cc(NC(C)=O)c(Cl)cc1C(=O)CCCCCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.53
HTT P42858 1/20 0.47
HTR4 Q13639 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7358509 0.96 AGER (0.57) AGERHTTHTR4POLBHPGD
SCHEMBL7354465 0.86 SMN1; SMN2 (0.42) AGERPOLBHPGDALDH1A1LMNA
SCHEMBL7352264 0.86 KDM4E (0.52) AGERPOLBHPGDALDH1A1LMNA
SCHEMBL7348962 0.86 ALDH1A1 (0.45) AGERPOLBHPGDALDH1A1LMNA
SCHEMBL7350242 0.85 SMN1; SMN2 (0.43) AGERHPGDALDH1A1LMNAMAPT
SCHEMBL7359351 0.84 MGAT2 (0.47) AGERHPGDALDH1A1LMNAMAPT
SCHEMBL7360982 0.83 PGK1 (0.39) AGERHTTPOLBHPGDALDH1A1
SCHEMBL8575158 0.83 HTR4 (0.51) HTR4HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL7350270 0.82 HTR4 (0.70) HTR4ALDH1A1LMNAMEN1KMT2A
SCHEMBL14490855 0.80 AGER (0.60) AGERHTTPOLBHPGDALDH1A1

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-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
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO 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