Sugi Predict

Sugi Predict / Compounds / SCHEMBL20283136

SCHEMBL20283136

SCHEMBL20283136

CNC1CN(c2ncccc2Cl)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.48
▸ GRM4 Q14833 1/20 0.47
▸ MALT1 Q9UDY8 4/20 0.45
▸ TRPV1 Q8NER1 3/20 0.44
▸ HRH4 Q9H3N8 2/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL8693624 0.84 MALT1 (0.55) HSD11B1MALT1TRPV1
SCHEMBL23046572 0.83 HSD11B1 (0.45) HSD11B1GRM4MALT1TRPV1TRPA1
SCHEMBL20283147 0.81 GRM4 (0.48) GRM4TRPV1HRH4KCNH2
SCHEMBL30417113 0.77 HSD11B1 (0.51) HSD11B1MALT1TRPV1
SCHEMBL30416776 0.77 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL3210143 0.77 HSD11B1 (0.51) HSD11B1MALT1TRPV1
SCHEMBL30416835 0.77 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL13489654 0.77 HSD11B1 (0.51) HSD11B1MALT1TRPV1
SCHEMBL20364269 0.76 MALT1 (0.50) HSD11B1GRM4MALT1TRPV1TRPA1
SCHEMBL4635199 0.75 HSD11B1 (0.46) HSD11B1MALT1TRPV1TRPA1

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-2018112312-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2018-06-21 — — WO disclosed