SCHEMBL5256231

SCHEMBL5256231

CC(C)N(C(C)C)S(=O)(=O)N[C@@](C)(Cc1ccc(Nc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.34
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
ADRB3 P13945 4/20 0.33
PDE4B Q07343 2/20 0.32
P2RX3 P56373 1/20 0.31
KDR P35968 2/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 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
SCHEMBL5259963 0.91 ADRB3 (0.37) TRPV1HDAC3HDAC1HDAC6ADRB3
SCHEMBL5255287 0.90 HDAC3 (0.34) TRPV1HDAC3HDAC1HDAC6ADRB3
SCHEMBL5255321 0.86 JAK3 (0.37) ADRB3
SCHEMBL5256333 0.84 FFAR1 (0.37) TRPV1PRKD3PRKCGPRKCBPRKCA
SCHEMBL5228649 0.81 ITGB1 (0.37) TRPV1HDAC3HDAC1HDAC6P2RX3
SCHEMBL5258338 0.79 NAMPT (0.37) TRPV1ADRB3
SCHEMBL5257897 0.78 CA12 (0.36) TRPV1HDAC3HDAC1HDAC6P2RX3
SCHEMBL5257628 0.75 CYP3A4 (0.36) TRPV1
SCHEMBL5261416 0.75 TRPV1 (0.42) TRPV1HDAC3HDAC1HDAC6PDE4B
SCHEMBL5264743 0.75 TRPV1 (0.42) TRPV1HDAC3HDAC1HDAC6PDE4B

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