SCHEMBL5256333

SCHEMBL5256333

CC(C)N(C(C)C)S(=O)(=O)N[C@@](C)(Cc1ccc(Oc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TRPV1 Q8NER1 6/20 0.33
NPY5R Q15761 1/20 0.33
GRM4 Q14833 1/20 0.33
DRD1 P21728 1/20 0.33
P2RX7 Q99572 5/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CAMK2D Q13557 1/20 0.32
P2RX4 Q99571 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
PSMB5 P28074 1/20 0.32
PRKD3 O94806 1/20 0.32

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
SCHEMBL5259953 0.91 FFAR1 (0.36) FFAR1SCN5ASCN9ACYP3A4CYP2C9
SCHEMBL5257628 0.91 CYP3A4 (0.36) FFAR1SCN5ASCN9ACYP3A4CYP2C9
SCHEMBL5256637 0.86 CYP3A4 (0.37) FFAR1SCN5ASCN9ACYP3A4CYP2C9
SCHEMBL5256231 0.84 TRPV1 (0.34) TRPV1PRKD3PRKCGPRKCBPRKCA
SCHEMBL5228936 0.80 ITGB3 (0.39) FFAR1SCN5ASCN9ACYP3A4CYP2C9
SCHEMBL5255111 0.80 P2RX7 (0.34) FFAR1SCN5ASCN9ACYP3A4CYP2C9
SCHEMBL5182529 0.80 LATS1 (0.40) FFAR1TRPV1GRM4DRD1P2RX7
SCHEMBL5256327 0.78 P2RX7 (0.37) FFAR1SCN5ASCN9ACYP3A4CYP2C9
SCHEMBL7107376 0.75 ITGB1 (0.36) FFAR1TRPV1GRM4DRD1
SCHEMBL5255287 0.75 HDAC3 (0.34) TRPV1P2RX7

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