SCHEMBL18616494

SCHEMBL18616494

CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(-c6ccno6)cc5)cc4o3)CCC(F)(F)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ NAMPT P43490 4/20 0.33
▸ BDKRB1 P46663 4/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.30
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL18616007 0.87 CTSL (0.45) CTSLCTSBCTSSNAMPTBDKRB1
SCHEMBL20341821 0.87 CTSL (0.40) CTSLCTSBCTSSNAMPTBDKRB1
SCHEMBL23810241 0.87 CTSL (0.40) CTSLCTSBCTSSNAMPTBDKRB1
SCHEMBL20341790 0.82 NAMPT (0.42) NAMPTPOLBERAP1
SCHEMBL20341745 0.82 SMN1; SMN2 (0.42) HDAC6
SCHEMBL18615936 0.77 MAOA (0.33) —
SCHEMBL20341862 0.77 BMPR1B (0.36) HDAC6ROCK2
SCHEMBL18615931 0.75 CTSS (0.36) CTSLCTSBCTSSERAP1
SCHEMBL18615951 0.74 BMPR1B (0.35) HDAC6ROCK2
SCHEMBL20341831 0.73 MAPT (0.32) HDAC6

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-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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