SCHEMBL10902167

SCHEMBL10902167

O=C1CCc2c(cccc2OCCO)N1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.55
ADRB2 P07550 1/20 0.55
HTR1A P08908 1/20 0.55
OPRK1 P41145 1/20 0.55
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
TIPARP Q7Z3E1 2/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39

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
SCHEMBL11230293 0.86 DRD2 (0.52) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL11225985 0.86 DRD2 (0.52) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL9653164 0.85 ADRB1 (0.52) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL9389280 0.85 ADRB1 (0.52) ADRB1ADRB2HTR1AOPRK1DRD2
Hydrochloric Acid SCHEMBL11239741 0.85 DRD2 (0.51) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL11281507 0.85 ADRB1 (0.52) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL18072426 0.84 ADRB2 (0.54) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL9653685 0.84 ADRB1 (0.51) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL10573269 0.84 DRD2 (0.48) ADRB1ADRB2HTR1AOPRK1DRD2
SCHEMBL11319220 0.83 ADRB1 (0.51) ADRB1ADRB2HTR1AOPRK1DRD2

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-4564619-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 US disclosed