SCHEMBL5138610

SCHEMBL5138610

CC(C)CCc1n[nH]cc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.34
ADRA2B P18089 4/20 0.34
ADRA2C P18825 4/20 0.34
HTR1A P08908 2/20 0.31
SORT1 Q99523 1/20 0.30

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
SCHEMBL2045161 0.77 SPHK1 (0.36)
SCHEMBL1128876 0.69 SORT1 (0.32) SORT1
SCHEMBL25591059 0.64 CNR2 (0.36) HTR1A
SCHEMBL1129421 0.64 ALDH1A1 (0.35) SORT1
SCHEMBL16187110 0.63 HTR1D (0.35)
SCHEMBL12952917 0.62
SCHEMBL4562583 0.62
SCHEMBL26946141 0.62 GABRA1 (0.30)
SCHEMBL27346981 0.62 NOS3 (0.37) SORT1
SCHEMBL13312286 0.61

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
WO-2008072077-A2 COMBINATION OF 1-ARYL-4-CYCLOPROPYLPYRAZOLES WITH ANTHELMINTIC AGENT FOR PARASITIC INFESTATION PFIZER LIMITED (GB) 2008-06-19 WO disclosed