SCHEMBL11460656

SCHEMBL11460656

C=CCN1CCc2c(cc(O)c(O)c2SC)C(c2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 10/20 0.76
▸ DRD2 P14416 7/20 0.76
▸ MAPT P10636 4/20 0.76
▸ HSD17B10 Q99714 4/20 0.76
▸ MTOR P42345 3/20 0.76
▸ CYP2D6 P10635 3/20 0.76
▸ THPO P40225 3/20 0.76
▸ HIF1A Q16665 3/20 0.76
▸ ALOX15 P16050 3/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ CYP2C9 P11712 2/20 0.76
▸ TSHR P16473 2/20 0.76
▸ KDM4E B2RXH2 5/20 0.74
▸ LMNA P02545 3/20 0.74
▸ BLM P54132 3/20 0.74
▸ PMP22 Q01453 3/20 0.74
▸ GMNN O75496 2/20 0.74
▸ NFKB1 P19838 1/20 0.73
▸ PKM P14618 2/20 0.71

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
SCHEMBL14510732 0.87 DRD1 (0.82) DRD1DRD2MAPTHSD17B10MTOR
SCHEMBL3516110 0.86 DRD1 (1.00) DRD1DRD2MAPTHSD17B10MTOR
SCHEMBL29382672 0.86 DRD1 (1.00) DRD1DRD2MAPTHSD17B10MTOR
SCHEMBL5945668 0.86 DRD1 (1.00) DRD1DRD2MAPTHSD17B10MTOR
SCHEMBL11478102 0.85 DRD1 (0.58) DRD1DRD2MAPTHSD17B10MTOR
Bromide SCHEMBL29634860 0.85 DRD1 (1.00) DRD1DRD2MAPTHSD17B10MTOR
Bromide SCHEMBL11462466 0.84 DRD1 (0.56) DRD1DRD2MAPTHSD17B10MTOR
SCHEMBL29389918 0.84 DRD1 (1.00) DRD1DRD2MAPTHSD17B10MTOR
SCHEMBL29388918 0.84 DRD1 (1.00) DRD1DRD2MAPTHSD17B10MTOR
SCHEMBL4388800 0.84 DRD1 (1.00) DRD1DRD2MAPTHSD17B10MTOR

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
US-4206210-A PARKINSON'S DISEASE SMITHKLINE CORPORATION (US) 1980-06-03 — — US disclosed
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