SCHEMBL5986530

SCHEMBL5986530

CCOC(=O)C(C)(C)c1cc(F)cc2ccoc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
TSHR P16473 2/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
FBP1 P09467 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL7789406 0.91 CNR2 (0.36) CNR2TSHRPOLBMAPTALDH1A1
SCHEMBL5988062 0.79 SLC22A12 (0.35) TSHRPOLBMAPTCYP1A2CYP3A4
SCHEMBL25303983 0.75 FBP1 (0.43) CNR2TSHRPOLBMAPTHTT
SCHEMBL24656012 0.73 TRPA1 (0.36) TSHRMAPTALDH1A1HTTCYP1A2
SCHEMBL5987073 0.73 PKM (0.41) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL2263622 0.73 MAPT (0.41) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL25532204 0.73 TRPA1 (0.32)
SCHEMBL20935277 0.72 MAPT (0.42) CNR2TSHRPOLBMAPTALDH1A1
SCHEMBL5988442 0.72 PTGS1 (0.37) TSHRPOLBMAPTALDH1A1HTT
SCHEMBL5988546 0.70 TRPA1 (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed