SCHEMBL6947291

SCHEMBL6947291

CCNC(Cc1ccc(C(=O)CCCN2CN(C)c3cc(C)ccc3C2=O)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
S1PR5 Q9H228 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TPH1 P17752 2/20 0.33
HSD11B1 P28845 1/20 0.32
TNF P01375 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2J2 P51589 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 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
SCHEMBL6952116 0.84 DRD2 (0.36) DRD2DRD4DRD3S1PR5TPH1
SCHEMBL6953255 0.79 PPARA (0.43) HSD11B1
SCHEMBL25764848 0.69 TDP1 (0.52) TDP1KMT2A
SCHEMBL25764849 0.69 TDP1 (0.52) TDP1KMT2A
SCHEMBL6950764 0.65 ITGB1 (0.36) TP53
SCHEMBL23917908 0.64 KMT2A (0.47) TDP1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1287829 0.61 FOLH1 (0.61) MEN1KMT2A
SCHEMBL547121 0.61 FOLH1 (0.61) MEN1KMT2A
SCHEMBL547122 0.61 FOLH1 (0.61) MEN1KMT2A
SCHEMBL839840 0.61 SIGMAR1 (0.56)

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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed