SCHEMBL15534827

SCHEMBL15534827

CC(C)(C)N1CCN(c2ccc3cc(O)ccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.50
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTR7 P34969 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
HTR5A P47898 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
CYP1A2 P05177 1/20 0.41
AKR1C3 P42330 1/20 0.40
KDM4E B2RXH2 4/20 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
SCHEMBL24421700 0.83 ALDH1A1 (0.56) MAPTALDH1A1GAAHSD17B10USP2
SCHEMBL4649484 0.81 HTR3A (0.69) HTR3AMAPTALDH1A1GAAHSD17B10
SCHEMBL2224540 0.80 DRD2 (0.58) MAPTALDH1A1GAAHTR7LMNA
SCHEMBL30480093 0.78 TERT (0.55) HTR3AMAPTALDH1A1GAAHSD17B10
SCHEMBL7723267 0.78 TERT (0.55) HTR3AMAPTALDH1A1GAAHSD17B10
SCHEMBL15534608 0.76 MAPT (0.56) MAPTALDH1A1GAALMNAHTT
SCHEMBL24421699 0.75 ESR1 (0.43) HTR3AMAPTALDH1A1GAALMNA
SCHEMBL1905445 0.75 MAPT (0.48) HTR3AMAPTALDH1A1GAALMNA
SCHEMBL4649483 0.75 MAPT (0.59) MAPTALDH1A1GAAHSD17B10LMNA
SCHEMBL13153256 0.73 ADRB1 (0.58) HTR3AMAPTALDH1A1GAAHTR7

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-2013177253-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed