SCHEMBL2188565

SCHEMBL2188565

O=C(NCCc1cccs1)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
LMNA P02545 5/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
P2RY12 Q9H244 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
ADAM17 P78536 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL2189160 0.89 CHRM4 (0.50) CHRM4DRD2DRD3LMNATSHR
SCHEMBL2185664 0.84 TSHR (0.50) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2187717 0.82 LMNA (0.53) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2185672 0.82 LMNA (0.53) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2185757 0.82 LMNA (0.66) CHRM4LMNATSHRMEN1MAPK1
SCHEMBL2189156 0.82 HSD17B10 (0.52) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2186962 0.82 LMNA (0.56) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188261 0.81 LMNA (0.56) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188122 0.80 LMNA (0.55) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188273 0.80 CHRM4 (0.52) CHRM4LMNATSHRMEN1MAPK1

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