SCHEMBL17902011

SCHEMBL17902011

Cc1cc(C)cc(N2CCC3(CC2)OCCO3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HCRTR1 O43613 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 3/20 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
SCHEMBL17893679 0.89 FFAR4 (0.48) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL14117684 0.83 RAB9A (0.57) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7014268 0.82 HSD17B10 (0.45) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL14117662 0.81 LGMN (0.54) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL14337144 0.78 LGMN (0.47) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL14336803 0.78 CHRM2 (0.48) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12684501 0.77 MAPK8 (0.41) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL17893792 0.77 ADRB1 (0.53) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4554831 0.76 LGMN (0.63) LGMNALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL17893619 0.75 LGMN (0.44) LGMNALDH1A1MAPTSMN1; SMN2LMNA

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-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed