SCHEMBL23770487

SCHEMBL23770487

CC(C)COc1ccccc1-c1nc(NSc2cccc(N3CCCC(C)(C(=O)O)C3)n2)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1G O43497 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
TBXA2R P21731 1/20 0.30
PTGER1 P34995 1/20 0.30
PPARG P37231 1/20 0.30
PTGER3 P43115 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
SCHEMBL19970107 1.00 MGLL (0.33) MGLLDGAT1KCNH2CACNA1GCACNA1H
SCHEMBL23770639 0.91 MGLL (0.35) MGLLKCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL19970136 0.90 BTK (0.33)
SCHEMBL19970145 0.90 BTK (0.33)
SCHEMBL23770821 0.87 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL23770636 0.86 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL19970115 0.86 DGAT1 (0.34) DGAT1KCNH2
SCHEMBL22338250 0.86 DGAT1 (0.36) DGAT1KCNH2
SCHEMBL19927725 0.85 MGLL (0.32) MGLLDGAT1KCNH2CACNA1GCACNA1H
SCHEMBL19927728 0.85 MGLL (0.32) MGLLDGAT1KCNH2CACNA1GCACNA1H

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