SCHEMBL5258338

SCHEMBL5258338

CC1CCCC(C)N1S(=O)(=O)N[C@@](C)(Cc1ccc(Nc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
ADRB3 P13945 8/20 0.34
TRPV1 Q8NER1 3/20 0.33
ROCK2 O75116 2/20 0.33
PRMT3 O60678 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32
POLB P06746 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
BDKRB1 P46663 1/20 0.31

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
SCHEMBL5255111 0.85 P2RX7 (0.34) NAMPTTRPV1ALDH1A1TP53SMN1; SMN2
SCHEMBL5227174 0.83 NAMPT (0.37) NAMPTROCK2PRMT3ALDH1A1TP53
SCHEMBL5255321 0.82 JAK3 (0.37) NAMPTADRB3PRMT3SMN1; SMN2LCK
SCHEMBL5259963 0.81 ADRB3 (0.37) ADRB3TRPV1
SCHEMBL5256231 0.79 TRPV1 (0.34) ADRB3TRPV1
SCHEMBL5258334 0.79 NAMPT (0.36) NAMPTALDH1A1TP53SMN1; SMN2
SCHEMBL5255287 0.77 HDAC3 (0.34) NAMPTADRB3TRPV1
SCHEMBL5307756 0.75 ITGA4 (0.44)
SCHEMBL5264743 0.71 TRPV1 (0.42) TRPV1ALDH1A1SMN1; SMN2
SCHEMBL5261416 0.71 TRPV1 (0.42) TRPV1ALDH1A1SMN1; SMN2

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-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP claimed