SCHEMBL19851718

SCHEMBL19851718

CCCCCCCCCCCCOCC(CNC(=O)[C@@H](N)Cc1cnc[nH]1)COCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ NLN Q9BYT8 1/20 0.46

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
SCHEMBL19839622 0.85 CYP3A4 (0.47) HRH4HRH3
SCHEMBL18878684 0.79 NLN (0.48) NLN
SCHEMBL16381379 0.79 TLR2 (0.47) NLN
SCHEMBL7780217 0.78 CYP3A4 (0.56) HRH4HRH3
SCHEMBL7779386 0.78 CYP3A4 (0.56) HRH4HRH3
SCHEMBL7781926 0.78 CYP3A4 (0.56) HRH4HRH3
SCHEMBL18814488 0.77 NLN (0.48) NLN
SCHEMBL18814487 0.77 NLN (0.48) NLN
SCHEMBL18814486 0.77 NLN (0.48) NLN
SCHEMBL18878647 0.77 NLN (0.48) NLN

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-2018026866-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION NEUROPORE THERAPIES, INC. (US) 2018-02-08 — — WO disclosed
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