SCHEMBL14747751

SCHEMBL14747751

CCC1Oc2cc(CI)c(C)cc2N(CCCOC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.42
HTT P42858 3/20 0.41
PPARG P37231 2/20 0.39
TSHR P16473 6/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL12362192 0.90 REN (0.46) RENHTTPPARGTSHRLMNA
SCHEMBL14747749 0.87 REN (0.47) RENPPARGTSHRNPSR1THRB
SCHEMBL5987087 0.84 TSHR (0.44) RENHTTPPARGTSHRLMNA
SCHEMBL13434133 0.80 TSHR (0.61) RENHTTTSHRLMNAUSP2
SCHEMBL14747754 0.75 REN (0.50) REN
SCHEMBL7636421 0.75 REN (0.53) RENTSHRNPSR1THRBALDH1A1
SCHEMBL7603116 0.72 TSHR (0.47) HTTTSHRLMNAUSP2MAPK1
SCHEMBL5987076 0.72 REN (0.49) RENPPARGTSHRNPSR1THRB
SCHEMBL5986192 0.70 REN (0.48) RENHTTTSHRNPSR1THRB
SCHEMBL7634836 0.70 REN (0.48) RENTSHRNPSR1THRBALDH1A1

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
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed