SCHEMBL5506241

SCHEMBL5506241

CNCC(CC1CCCCC1)NC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.57
▸ CTSS P25774 3/20 0.57
▸ CTSB P07858 1/20 0.57
▸ CTSK P43235 1/20 0.57
▸ REN P00797 8/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ USP30 Q70CQ3 2/20 0.47
▸ CTSV O60911 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ IDE P14735 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ GRN P28799 1/20 0.44
▸ SORT1 Q99523 1/20 0.44

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
SCHEMBL8268200 0.89 KMT2A (0.47) CTSLCTSSCTSBCTSKREN
SCHEMBL8269807 0.87 REN (0.47) CTSLCTSSCTSBCTSKREN
SCHEMBL1869140 0.84 CTSL (0.56) CTSLCTSSCTSBCTSKREN
SCHEMBL1863069 0.81 REN (0.56) REN
SCHEMBL12669834 0.81 REN (0.46) CTSLCTSSREN
SCHEMBL1857281 0.81 REN (0.56) REN
SCHEMBL1863073 0.81 REN (0.56) REN
SCHEMBL1860861 0.81 REN (0.56) REN
SCHEMBL1864182 0.80 MEN1 (0.48) CTSKRENMEN1KMT2AIDE
SCHEMBL1862774 0.80 REN (0.49) REN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 — — EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
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