SCHEMBL1723472

SCHEMBL1723472

CNC(=O)C(Cc1ccsc1)Cc1c[nH]c2cccc(OC)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTR2A P28223 2/20 0.43
HTR6 P50406 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
KMT2A Q03164 1/20 0.39
MME P08473 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
MMP2 P08253 2/20 0.37
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
CTSL P07711 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL1723473 0.73 HTR2A (0.46) MTNR1AMTNR1BHTR2AHTR6TDP1
SCHEMBL1723469 0.73 GAA (0.56) MTNR1AMTNR1BHTR2AHTR6TDP1
SCHEMBL5202211 0.72 MTNR1A (0.52) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL6775637 0.72 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL2013301 0.71 MTNR1A (0.58) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL6775913 0.71 MTNR1A (0.58) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL23226249 0.70 HTR2A (0.60) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL28409765 0.70 SMN1; SMN2 (0.60) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL24328917 0.70 SMN1; SMN2 (0.60) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL24328893 0.70 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A

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-1957454-B1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed