SCHEMBL23770490

SCHEMBL23770490

Cc1ccc(NSc2cccc(N3CCCC(C)(C(=O)O)C3)n2)nc1-c1ccccc1C1CC1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.30
KCNH2 Q12809 1/20 0.30
DRD4 P21917 1/20 0.30
HSD11B1 P28845 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 1/20 0.30

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
SCHEMBL23770655 0.94 DGAT1 (0.32) DGAT1KCNH2HSD11B1RORCRORB
SCHEMBL23770774 0.92 PTGES (0.31) DGAT1KCNH2DRD4HSD11B1RORC
SCHEMBL23770854 0.92 DGAT1 (0.33) DGAT1KCNH2RORC
SCHEMBL19970138 0.92 DGAT1 (0.33) DGAT1KCNH2RORC
SCHEMBL23770750 0.91 DGAT1 (0.32) DGAT1KCNH2
SCHEMBL23770738 0.91 SSTR5 (0.33) DRD4
SCHEMBL19970129 0.89 RBP4 (0.35) HSD11B1
SCHEMBL19970020 0.89 RBP4 (0.35) HSD11B1
SCHEMBL23770690 0.89 DGAT1 (0.33) DGAT1KCNH2RORC
SCHEMBL19970104 0.87 RBP4 (0.35) HSD11B1

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed