SCHEMBL9138151

SCHEMBL9138151

CCCCCCCCCCCCn1nnnc1/C(=N/OC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9138156 1.00 HCAR3 (0.36) HCAR3HTTCYP2C19
SCHEMBL8924130 0.79 HCAR3 (0.46) HCAR3HTTCYP2C19
SCHEMBL9111798 0.79 HCAR3 (0.46) HCAR3HTTCYP2C19
SCHEMBL9138211 0.74 TRPV1 (0.40)
SCHEMBL9138218 0.74 TRPV1 (0.40)
Silver SCHEMBL10952229 0.74 HTT (0.41) HCAR3HTTCYP2C19
SCHEMBL28711340 0.68 HCAR3 (0.41) HCAR3HTTCYP2C19
SCHEMBL28704641 0.68 HCAR3 (0.41) HCAR3HTTCYP2C19
SCHEMBL28702017 0.68 HCAR3 (0.41) HCAR3HTTCYP2C19
SCHEMBL28702006 0.68 HCAR3 (0.41) HCAR3HTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995032953-A1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-07 WO disclosed
US-5461049-A Treating hypercholesterolemia, atherosclerosis WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed