SCHEMBL4556124

SCHEMBL4556124

COc1ccc(C(=O)Nc2ccc(C(C)(C)CCN)cc2)cc1OC.O=C(O)c1c[nH]c2cnc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.44
CPT1B Q92523 4/20 0.44
CPT2 P23786 2/20 0.44
KCNQ3 O43525 3/20 0.44
KCNQ2 O43526 3/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
ENPP1 P22413 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
SCHEMBL4556122 0.92 CPT1A (0.44) CPT1ACPT1BCPT2KCNQ3KCNQ2
SCHEMBL4556123 0.89 KCNQ3 (0.42) CPT1ACPT1BCPT2KCNQ3KCNQ2
SCHEMBL4555809 0.82 MEN1 (0.49) CPT1ACPT1BCPT2MEN1KMT2A
SCHEMBL2814726 0.80 KMT2A (0.58) MEN1KMT2APKMALDH1A1NR1H4
SCHEMBL4556081 0.78 AAK1 (0.47) MEN1KMT2APKMALDH1A1NR1H4
SCHEMBL4555806 0.77 MEN1 (0.51) CPT1ACPT1BCPT2MEN1KMT2A
SCHEMBL27797184 0.75 CPT1A (0.53) CPT1ACPT1BCPT2MEN1KMT2A
SCHEMBL4555807 0.74 KMT2A (0.50) MEN1KMT2APKMALDH1A1NR1H4
SCHEMBL4439131 0.74 HPSE (0.49) MEN1KMT2APKMALDH1A1NR1H4
SCHEMBL4556271 0.73 PKM (0.46) MEN1KMT2APKMALDH1A1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP claimed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO claimed