SCHEMBL5988005

SCHEMBL5988005

CC(Cc1cc(C(=O)O)cc2ccoc12)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.41
CTSK P43235 12/20 0.41
ACE P12821 1/20 0.38
CTSB P07858 3/20 0.37
CTSL P07711 2/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
PTPN1 P18031 1/20 0.36
ATM Q13315 1/20 0.36
KLK5 Q9Y337 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
SCHEMBL5987163 0.90 CTSS (0.38) CTSSCTSKACECTSBCTSL
SCHEMBL5986840 0.86 CTSS (0.41) CTSSCTSKACECTSBCTSL
SCHEMBL5987022 0.86 CTSS (0.41) CTSSCTSKACECTSBCTSL
SCHEMBL5987765 0.86 CTSS (0.41) CTSSCTSKACECTSBCTSL
SCHEMBL5987068 0.85 CTSS (0.39) CTSSCTSKACECTSBCTSL
SCHEMBL5987193 0.84 CTSS (0.39) CTSSCTSKACECTSBCTSL
SCHEMBL5987708 0.84 CTSK (0.39) CTSSCTSKACECTSBCTSL
SCHEMBL5985409 0.84 KDM4E (0.39) CTSSCTSKACECTSBPTPN1
SCHEMBL5986225 0.83 NPC1 (0.39) CTSSCTSKACECTSBCTSL
SCHEMBL5986230 0.83 NPC1 (0.39) CTSSCTSKACECTSBCTSL

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