SCHEMBL7028684

SCHEMBL7028684

C=CCCC1CCC(C2CCC(CCc3ccc(CCO)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
NPC1 O15118 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL7029525 0.93 HTR2A (0.34) HTR2AHTR2C
SCHEMBL7028454 0.91 HTR2A (0.35) HTR2AHTR2CNPC1GPR84
SCHEMBL7025226 0.90 HTR2A (0.31) HTR2AHTR2C
SCHEMBL9256823 0.85 SLC6A2 (0.35) NPC1GPR84
SCHEMBL9256837 0.85 SLC6A2 (0.35) NPC1GPR84
SCHEMBL9256842 0.85 SLC6A2 (0.35) NPC1GPR84
SCHEMBL7034717 0.85 ESR2 (0.38) HTR2AHTR2C
SCHEMBL7029159 0.84 NPC1 (0.30) NPC1
SCHEMBL7031261 0.84 HTR2A (0.37) HTR2AHTR2CNPC1GPR84
SCHEMBL7025178 0.84 HTR2A (0.37) HTR2AHTR2CNPC1GPR84

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed