SCHEMBL6681376

SCHEMBL6681376

C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)c1ccccc1)C(=O)Oc1ccc(Oc2nccc3cnccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.42
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK1 P28482 1/20 0.37
KCNA5 P22460 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL5262987 0.86 TRPV1 (0.44) TRPV1KCNA5
SCHEMBL5262991 0.86 TRPV1 (0.44) TRPV1KCNA5
SCHEMBL5259747 0.85 MEN1 (0.43) TRPV1KCNA5
SCHEMBL5259734 0.85 MEN1 (0.43) TRPV1KCNA5
SCHEMBL5259289 0.80 CA12 (0.42) TRPV1
SCHEMBL5259291 0.80 CA12 (0.42) TRPV1
SCHEMBL5262880 0.79 MEN1 (0.46) NAMPT
SCHEMBL5261648 0.79 MEN1 (0.46) NAMPT
SCHEMBL5259740 0.77 TRPV1 (0.41) TRPV1NAMPTKCNA5
SCHEMBL6667466 0.76 TRPV1 (0.40) TRPV1NAMPTMAPK1KCNA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO disclosed