SCHEMBL29520868

SCHEMBL29520868

CCCCCCCCCCCCn1cc(C(C)(C)N)nn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.71
GBA1 P04062 12/20 0.44
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KDR P35968 2/20 0.39

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
SCHEMBL4224858 0.87 SMPD1 (0.66) SMPD1GBA1HRH4HRH3
SCHEMBL616778 0.84 SMPD1 (0.67) SMPD1GBA1HRH4HRH3
SCHEMBL23064315 0.83 SMPD1 (1.00) SMPD1GBA1HRH4HRH3KDR
SCHEMBL23064217 0.83 SMPD1 (1.00) SMPD1GBA1HRH4HRH3KDR
SCHEMBL19197802 0.83 SMPD1 (1.00) SMPD1GBA1HRH4HRH3KDR
SCHEMBL23064221 0.83 SMPD1 (1.00) SMPD1GBA1HRH4HRH3KDR
SCHEMBL25329230 0.83 SMPD1 (1.00) SMPD1GBA1HRH4HRH3KDR
SCHEMBL23064212 0.83 SMPD1 (1.00) SMPD1GBA1HRH4HRH3KDR
SCHEMBL25329590 0.83 SMPD1 (1.00) SMPD1GBA1HRH4HRH3KDR
Hydrochloric Acid SCHEMBL23064241 0.82 SMPD1 (0.97) SMPD1GBA1HRH4HRH3

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-2022065831-A1 USE OF TRIAZOLE COMPOUND AS GHRELIN RECEPTOR AGONIST 경북대학교 산학협력단 2022-03-31 WO claimed