SCHEMBL4090035

SCHEMBL4090035

CCC(C)C(N)CNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
AOC3 Q16853 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL13884895 1.00 MAPT (0.42) MAPTFNTAFNTBALDH1A1TDP1
SCHEMBL13885334 0.84 SLC6A3 (0.40) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL3975534 0.84 SLC6A3 (0.40) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL13884998 0.84 FDPS (0.45) HTTSMN1; SMN2CYP2D6
SCHEMBL14511191 0.82 MAPT (0.46) MAPTFNTAFNTBALDH1A1TDP1
SCHEMBL13884904 0.82 L3MBTL1 (0.42) MAPTALDH1A1TDP1SMN1; SMN2CYP2D6
SCHEMBL3976888 0.82 L3MBTL1 (0.42) MAPTALDH1A1TDP1SMN1; SMN2CYP2D6
SCHEMBL3976412 0.82 CA1 (0.38) MAPTALDH1A1TDP1SMN1; SMN2MAOA
SCHEMBL13884951 0.82 CA1 (0.38) MAPTALDH1A1TDP1SMN1; SMN2MAOA
SCHEMBL13884897 0.80 GAA (0.42) MAPT

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
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed