SCHEMBL20103487

SCHEMBL20103487

CCc1cc(C2CCC(CC)C(CC(C)C)C2)c(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL20103640 0.78 CNR2 (0.35) TLR9TLR8TLR7TRPV1
SCHEMBL20103485 0.74 FFAR1 (0.42) TLR9TLR8TLR7
SCHEMBL19561516 0.68 CNR2 (0.34) TRPV1
SCHEMBL20103476 0.64 FFAR1 (0.41)
SCHEMBL26621148 0.61 CYP17A1 (0.30)
SCHEMBL20642453 0.60 TLR9 (0.36) TLR9TLR8TLR7
SCHEMBL20103378 0.60 CNR2 (0.34)
SCHEMBL31676221 0.59 TLR9 (0.36) TLR9TLR8TLR7
SCHEMBL12166908 0.59 SHBG (0.38)
SCHEMBL6855924 0.59 SHBG (0.38)

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-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed