SCHEMBL2189160

SCHEMBL2189160

CCCNC(=O)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 8/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 4/20 0.45
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL2188565 0.89 CHRM4 (0.47) CHRM4DRD2DRD3KMT2ALMNA
SCHEMBL2189156 0.87 HSD17B10 (0.52) KMT2ALMNATSHRHSD17B10MEN1
SCHEMBL2187717 0.86 LMNA (0.53) KMT2ALMNATSHRHSD17B10MEN1
SCHEMBL2185757 0.85 LMNA (0.66) CHRM4KMT2ALMNATSHRHSD17B10
SCHEMBL2186962 0.85 LMNA (0.56) KMT2ALMNATSHRHSD17B10MEN1
SCHEMBL2188261 0.84 LMNA (0.56) KMT2ALMNATSHRHSD17B10MEN1
SCHEMBL2185672 0.84 LMNA (0.53) KMT2ALMNATSHRHSD17B10MEN1
SCHEMBL2188122 0.83 LMNA (0.55) KMT2ALMNATSHRHSD17B10MEN1
SCHEMBL2188250 0.83 LMNA (0.51) KMT2ALMNATSHRHSD17B10MEN1
SCHEMBL2185664 0.83 TSHR (0.50) KMT2ALMNATSHRHSD17B10MEN1

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-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed