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SCHEMBL4037997

SCHEMBL4037997

CC(C)CC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.40
▸ KMT2A Q03164 1/20 0.37
▸ CTSL P07711 11/20 0.36
▸ CTSS P25774 7/20 0.36
▸ CTSB P07858 4/20 0.36
▸ CTSV O60911 2/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ TRPV4 Q9HBA0 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
SCHEMBL4045022 0.93 CTSK (0.35) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4051023 0.91 CTSK (0.39) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4039608 0.90 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051956 0.89 CTSK (0.41) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4046882 0.88 CTSK (0.41) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4042904 0.88 CTSK (0.39) CTSKCTSLCTSSCTSBTAS1R3
SCHEMBL4042987 0.88 CTSK (0.41) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4045898 0.88 CTSK (0.41) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4048011 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051812 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP claimed