SCHEMBL23770738

SCHEMBL23770738

COc1ccc(NSc2cccc(N3CCCC(C)(C(=O)O)C3)n2)nc1-c1ccccc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.33
DRD4 P21917 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MCOLN2 Q8IZK6 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
MCOLN1 Q9GZU1 1/20 0.32
MAPK1 P28482 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
MAPT P10636 1/20 0.31
HTR1A P08908 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 0.93 DGAT1 (0.32) MAPK1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL23770490 0.91 DGAT1 (0.30) DRD4
SCHEMBL23770854 0.90 DGAT1 (0.33)
SCHEMBL19970138 0.90 DGAT1 (0.33)
SCHEMBL23770872 0.90 CTSA (0.34) MAPK1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL19970129 0.88 RBP4 (0.35) PDCD1CD274
SCHEMBL19970020 0.88 RBP4 (0.35) PDCD1CD274
SCHEMBL23770690 0.88 DGAT1 (0.33)
SCHEMBL23770774 0.88 PTGES (0.31) DRD4
SCHEMBL19970104 0.86 RBP4 (0.35) PDCD1CD274

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