SCHEMBL5985409

SCHEMBL5985409

COc1cc(CC(C)NC(=O)OC(C)(C)C)c2occc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
ABCB1 P08183 3/20 0.38
PTPN1 P18031 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CTSB P07858 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TACR1 P25103 2/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
ACE P12821 1/20 0.36
KLK5 Q9Y337 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL5987022 0.86 CTSS (0.41) KDM4EHPGDCTSSCTSKPTPN1
SCHEMBL5987765 0.86 CTSS (0.41) KDM4EHPGDCTSSCTSKPTPN1
SCHEMBL5986840 0.86 CTSS (0.41) KDM4EHPGDCTSSCTSKPTPN1
SCHEMBL5987163 0.86 CTSS (0.38) KDM4EHPGDCTSSCTSKCTSB
SCHEMBL5987068 0.85 CTSS (0.39) KDM4EHPGDCTSSCTSKCTSB
SCHEMBL5987193 0.84 CTSS (0.39) KDM4EHPGDCTSSCTSKCTSB
SCHEMBL5987708 0.84 CTSK (0.39) KDM4EHPGDCTSSCTSKPTPN1
SCHEMBL5988005 0.84 CTSS (0.41) CTSSCTSKPTPN1CTSBACE
SCHEMBL5986230 0.83 NPC1 (0.39) CTSSCTSKPTPN1PPARGPPARA
SCHEMBL5986225 0.83 NPC1 (0.39) CTSSCTSKPTPN1PPARGPPARA

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