SCHEMBL7993405

SCHEMBL7993405

O=C(N[C@H]1COCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2CCCN2C1=O)OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.35
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ TERF2 Q15554 1/20 0.32

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
SCHEMBL8306664 0.91 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8277053 0.91 CTSB (0.39) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13954200 0.91 CTSB (0.39) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8000121 0.90 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8172111 0.90 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8237425 0.86 CTSB (0.38) CTSBCTSS
SCHEMBL13924635 0.82 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8202772 0.82 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13059576 0.82 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL6384336 0.82 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C

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
WO-2009139792-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 — — WO disclosed
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