SCHEMBL7331166

SCHEMBL7331166

CN1CCc2c(cc(O)c(O)c2C(F)(F)F)C(c2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 13/20 0.69
▸ DRD2 P14416 8/20 0.69
▸ HSD17B10 Q99714 6/20 0.59
▸ THPO P40225 4/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ MTOR P42345 2/20 0.59
▸ KDM4E B2RXH2 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ PMP22 Q01453 3/20 0.58
▸ BLM P54132 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP2D6 P10635 5/20 0.56
▸ TSHR P16473 5/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ CYP1A2 P05177 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ KMT2A Q03164 2/20 0.55

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
SCHEMBL14495015 0.85 DRD1 (0.79) DRD1DRD2HSD17B10THPOHIF1A
SCHEMBL7321723 0.84 DRD1 (0.74) DRD1DRD2HSD17B10THPOHIF1A
SCHEMBL11256942 0.83 DRD1 (0.76) DRD1DRD2HSD17B10THPOHIF1A
Bromide SCHEMBL11252142 0.82 DRD1 (0.76) DRD1DRD2HSD17B10THPOHIF1A
Hydrochloric Acid SCHEMBL11165963 0.82 DRD1 (0.74) DRD1DRD2HSD17B10THPOHIF1A
SCHEMBL7323497 0.82 DRD1 (1.00) DRD1DRD2HSD17B10THPOHIF1A
Bromide SCHEMBL11542259 0.81 DRD1 (0.74) DRD1DRD2HSD17B10THPOHIF1A
Bromide SCHEMBL7321240 0.81 DRD1 (1.00) DRD1DRD2HSD17B10THPOHIF1A
Bromide SCHEMBL29634894 0.81 DRD1 (1.00) DRD1DRD2HSD17B10THPOHIF1A
Bromide SCHEMBL7320300 0.81 DRD1 (1.00) DRD1DRD2HSD17B10THPOHIF1A

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-4192872-A ANTI -PARKINSONISM ACTIVITY SMITHKLINE CORPORATION (US) 1980-03-11 — — US disclosed
Send feedback