SCHEMBL6633212

SCHEMBL6633212

Cc1ccc(S(=O)(=O)N(c2ccc(OC(=O)N3CCSCC3)cc2)[C@@](C)(C(=O)O)C(=O)[C@@H]2CC(OC(=O)N3CCSCC3)CN2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL6635395 0.85 NPY2R (0.38) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6632912 0.78 NPY2R (0.36) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3850763 0.77 NPY2R (0.34) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6631941 0.76 NPY2R (0.39) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6663224 0.74 CYP1A2 (0.44) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6637256 0.72 NPY2R (0.38) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6633565 0.71 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPT
SCHEMBL6634464 0.71 NPY2R (0.36) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6633816 0.71 ALDH1A1 (0.38) NPY2RALDH1A1MEN1KMT2AMAPT
SCHEMBL6660613 0.70 NPY2R (0.35) NPY2RALDH1A1CYP1A2CYP2C9CYP2C19

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-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed