SCHEMBL8433409

SCHEMBL8433409

CCCC1CCC(C2CCC(C(C)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.35
TLR4 O00206 1/20 0.33

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
SCHEMBL10479715 0.91 SLC6A3 (0.35) SLC6A3
SCHEMBL8412601 0.90 GRM2 (0.36) SLC6A3
SCHEMBL9083195 0.87 CYP2C9 (0.47) SLC6A3
SCHEMBL9620254 0.87 CCR5 (0.37) SLC6A3TLR4
SCHEMBL8437397 0.87 TLR4 (0.34) SLC6A3TLR4
SCHEMBL8370943 0.86 PDE2A (0.37)
SCHEMBL8380860 0.85 FPR2 (0.41) SLC6A3TLR4
SCHEMBL8433543 0.85 MAPK1 (0.34) SLC6A3TLR4
SCHEMBL9630077 0.85 TLR4 (0.33) TLR4
SCHEMBL8905453 0.85 TLR4 (0.33) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed