SCHEMBL1496897

SCHEMBL1496897

CN(C)CCC(NC(=O)NCc1cccc(F)c1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.47
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
HDAC3 O15379 6/20 0.38
NCOR1 O75376 1/20 0.38
MAPK1 P28482 1/20 0.38
ANPEP P15144 1/20 0.38
HDAC1 Q13547 7/20 0.37
HDAC2 Q92769 6/20 0.37
NCOR2 Q9Y618 5/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
RET P07949 1/20 0.36
HSD17B13 Q7Z5P4 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
SCHEMBL1497073 0.91 UTS2R (0.47) UTS2RHDAC3NCOR1MAPK1ANPEP
SCHEMBL1497068 0.89 UTS2R (0.47) UTS2RANPEPATG4BROCK2ROCK1
SCHEMBL1496896 0.88 UTS2R (0.47) UTS2RHDAC3HDAC1HDAC2NCOR2
SCHEMBL1497033 0.88 UTS2R (0.44) UTS2ROPRM1OPRL1MAPK1ANPEP
Hydrochloric Acid SCHEMBL1497060 0.87 UTS2R (0.47) UTS2RHDAC1ROCK2ROCK1
Hydrochloric Acid SCHEMBL1496948 0.86 UTS2R (0.47) UTS2RROCK2ROCK1
SCHEMBL1496910 0.84 UTS2R (0.41) UTS2RROCK2ROCK1
SCHEMBL1497037 0.84 UTS2R (0.38) UTS2ROPRM1OPRL1HDAC3HDAC1
SCHEMBL1497059 0.84 UTS2R (0.47) UTS2RHDAC3HDAC1HDAC2NCOR2
SCHEMBL1497044 0.84 UTS2R (0.45) UTS2R

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-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed