SCHEMBL8417706

SCHEMBL8417706

CCc1ccc(C2(CCO)CC2)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.38
SLC6A3 Q01959 15/20 0.38
SLC6A2 P23975 5/20 0.38
CYP2D6 P10635 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL8520386 0.76 RXRA (0.34) SLC6A4SLC6A3SLC6A2CASP1
SCHEMBL8417707 0.69 ALOX15 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL10726449 0.68 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CYP2D6CNR1
SCHEMBL7722936 0.68 RXRA (0.67)
SCHEMBL1124803 0.67 MAOA (0.56) SLC6A4SLC6A3SLC6A2CYP2D6CNR1
SCHEMBL24021289 0.67 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL1566412 0.66 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1832696 0.64 SLC6A3 (0.36) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL5085593 0.64 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL8419298 0.64 RXRA (0.47) SLC6A4SLC6A3SLC6A2CYP2D6

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-6005007-A SKIN DISORDERS LIGAND PHARMACEUTICALS INCORPORATED 1999-12-21 US disclosed