SCHEMBL11478102

SCHEMBL11478102

CSc1c(O)c(O)cc2c1CCN(Cc1ccccc1)CC2c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 12/20 0.58
▸ DRD2 P14416 10/20 0.58
▸ ALOX15 P16050 4/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ THPO P40225 3/20 0.58
▸ HIF1A Q16665 3/20 0.58
▸ MTOR P42345 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ GMNN O75496 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ GAA P10253 1/20 0.57

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
Bromide SCHEMBL11462466 0.86 DRD1 (0.56) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL11271845 0.85 DRD1 (0.76) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL11460547 0.85 DRD1 (0.53) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL11460656 0.85 DRD1 (0.76) DRD1DRD2ALOX15HSD17B10CYP2D6
Bromide SCHEMBL11157745 0.84 DRD1 (0.77) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL11476928 0.83 DRD1 (0.74) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL11262790 0.82 DRD1 (0.57) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL11544635 0.80 DRD1 (0.54) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL7318885 0.78 DRD1 (0.74) DRD1DRD2ALOX15HSD17B10CYP2D6
SCHEMBL11157379 0.77 DRD1 (0.70) DRD1DRD2ALOX15HSD17B10CYP2D6

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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