SCHEMBL8109989

SCHEMBL8109989

NC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3ccc(Cl)cc3)C(=O)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.43
▸ CTSK P43235 8/20 0.43
▸ CTSB P07858 5/20 0.43
▸ CTSS P25774 5/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ HRH3 Q9Y5N1 5/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ HRH1 P35367 1/20 0.40
▸ ADAM10 O14672 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL8110520 0.71 CTSK (0.64) CTSKCTSBCTSSKCNH2ADAM10
SCHEMBL8110145 0.70 HRH3 (0.50) CTSKCTSBCTSSKCNH2HRH3
SCHEMBL8110058 0.70 CTSK (0.56) CTSKCTSBCTSSKCNH2ADAM10
SCHEMBL8099548 0.67 CTSK (0.68) CTSKCTSBCTSSKCNH2ADAM10
SCHEMBL8117173 0.66 CTSK (0.50) CTSKCTSBCTSSKCNH2HRH3
SCHEMBL8107531 0.65 CTSK (0.46) CTSKCTSBCTSS
SCHEMBL8099356 0.63 CTSB (0.47) CTSKCTSBCTSSKCNH2ADAM10
SCHEMBL8111801 0.63 RBP4 (0.51) CTSKCTSBCTSS
SCHEMBL8111646 0.63 CTSK (0.58) CTSKCTSBCTSSKCNH2
SCHEMBL14899254 0.63 MEN1 (0.54) P2RX7KCNH2HRH3HRH1MEN1

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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