SCHEMBL17845180

SCHEMBL17845180

CC(C)COC[C@@H](O)CNc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.46
DNM1 Q05193 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ABCB1 P08183 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRB3 P13945 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL24180453 0.83 MAPT (0.73) MAPTHTTSMN1; SMN2GAADNM1
SCHEMBL9015860 0.80 MAPT (0.68) MAPTHTTSMN1; SMN2KDM4EDNM1
SCHEMBL20788755 0.80 MAPT (0.63) MAPTHTTSMN1; SMN2DNM1ABCB1
SCHEMBL7277860 0.78 MAPT (0.68) MAPTHTTSMN1; SMN2KDM4EDNM1
SCHEMBL23386838 0.78 KDM4E (0.50) KDM4EDNM1ALDH1A1ADRB2ADRB1
SCHEMBL28335665 0.77 MAPT (0.59) MAPTHTTSMN1; SMN2GAAKDM4E
SCHEMBL29430333 0.77 MAPT (0.63) MAPTHTTSMN1; SMN2GAADNM1
SCHEMBL3083085 0.76 MAPT (0.57) MAPTHTTSMN1; SMN2GAADNM1
SCHEMBL11448213 0.76 MAPT (0.93) MAPTHTTSMN1; SMN2GAAALDH1A1
SCHEMBL31010245 0.75 MAPT (0.56) MAPTHTTSMN1; SMN2GAAKDM4E

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
WO-2016098128-A1 PROCESS FOR THE PREPARATION OF BEPRIDIL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-23 WO disclosed
WO-2016098128-A1 PROCESS FOR THE PREPARATION OF BEPRIDIL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-23 WO disclosed