SCHEMBL2187327

SCHEMBL2187327

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.71
LMNA P02545 3/20 0.58
USP2 O75604 2/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GPR119 Q8TDV5 3/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 2/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.53
HPGD P15428 1/20 0.52
NOTUM Q6P988 1/20 0.52

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
SCHEMBL21542308 0.90 ALDH1A1 (0.65) POLBLMNATSHRSMN1; SMN2GPR119
SCHEMBL1778856 0.88 POLB (0.69) POLBLMNAUSP2TSHRSMN1; SMN2
SCHEMBL5235386 0.86 ALDH1A1 (0.60) POLBLMNATSHRSMN1; SMN2GPR119
SCHEMBL10993938 0.85 POLB (0.90) POLBLMNAUSP2TSHRSMN1; SMN2
SCHEMBL27679658 0.85 POLB (0.71) POLBLMNAUSP2TSHRSMN1; SMN2
SCHEMBL25168131 0.84 POLB (0.55) POLBLMNAUSP2TSHRSMN1; SMN2
SCHEMBL30410566 0.84 POLB (0.55) POLBLMNAUSP2TSHRSMN1; SMN2
SCHEMBL3849025 0.83 GPR119 (0.56) POLBLMNAUSP2SMN1; SMN2GPR119
SCHEMBL3097876 0.82 POLB (0.76) POLBLMNAUSP2TSHRSMN1; SMN2
SCHEMBL30372037 0.82 POLB (0.53) POLBLMNAUSP2TSHRSMN1; SMN2

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