SCHEMBL5987068

SCHEMBL5987068

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.39
CTSK P43235 7/20 0.39
AAK1 Q2M2I8 2/20 0.39
TACR1 P25103 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ACE P12821 1/20 0.36
KLK5 Q9Y337 1/20 0.36
CTSB P07858 2/20 0.36
CTSL P07711 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
REN P00797 1/20 0.35
TP53 P04637 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
SCHEMBL5987022 0.87 CTSS (0.41) CTSSCTSKAAK1ACECTSB
SCHEMBL5987765 0.87 CTSS (0.41) CTSSCTSKAAK1ACECTSB
SCHEMBL5986840 0.87 CTSS (0.41) CTSSCTSKAAK1ACECTSB
Hydrochloric Acid SCHEMBL7783669 0.86 ITGA4 (0.37) CTSSCTSKAAK1CA1CA2
SCHEMBL5988005 0.85 CTSS (0.41) CTSSCTSKACEKLK5CTSB
SCHEMBL5987708 0.85 CTSK (0.39) CTSSCTSKTACR1ACECTSB
SCHEMBL5985409 0.85 KDM4E (0.39) CTSSCTSKTACR1ACEKLK5
SCHEMBL5987193 0.85 CTSS (0.39) CTSSCTSKAAK1TACR1CA1
SCHEMBL5987768 0.85 CTSS (0.37) CTSSCTSKAAK1TACR1CA1
SCHEMBL5986225 0.84 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