SCHEMBL8971982

SCHEMBL8971982

COc1ccc(COc2cc(NC(C)=O)c(Cl)cc2CC(=O)CCCCl)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
AGER Q15109 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
KMT2A Q03164 2/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8971265 0.91 SMN1; SMN2 (0.42) SMN1; SMN2AGERALDH1A1GAAMAPT
SCHEMBL8970849 0.89 KDM4E (0.50) SMN1; SMN2MTNR1AMTNR1BCYP1A2CYP2C9
SCHEMBL8971117 0.87 AGER (0.47) SMN1; SMN2CYP3A4AGERALDH1A1GAA
SCHEMBL8970918 0.86 MTNR1B (0.43) SMN1; SMN2MTNR1AMTNR1BCYP1A2CYP2C9
SCHEMBL8971536 0.82 MGAT2 (0.44) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL7354465 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MTNR1AMTNR1BCYP1A2CYP2C9
SCHEMBL8970733 0.80 AGER (0.43) SMN1; SMN2CYP3A4AGERALDH1A1GAA
SCHEMBL8971050 0.74 PGK1 (0.39) SMN1; SMN2AGERALDH1A1MAPTRAB9A
SCHEMBL7350242 0.72 SMN1; SMN2 (0.43) SMN1; SMN2AGERALDH1A1MAPTKMT2A
SCHEMBL8603828 0.72 MTNR1A (0.38) SMN1; SMN2MTNR1AMTNR1BCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed