SCHEMBL23693711

SCHEMBL23693711

N#CC1(NC(=O)C2(NC(=O)c3ccc4c(c3)oc3cc(Br)ccc34)CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 12/20 0.56
▸ CTSS P25774 11/20 0.50
▸ CTSB P07858 9/20 0.50
▸ CTSK P43235 7/20 0.43
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL23693609 0.84 CTSL (0.56) CTSLCTSSCTSBCTSK
SCHEMBL28421665 0.84 CTSL (0.74) CTSLCTSSCTSBCTSK
SCHEMBL28424711 0.84 CTSL (0.74) CTSLCTSSCTSBCTSK
SCHEMBL23673493 0.82 CTSB (0.57) CTSLCTSSCTSBCTSK
SCHEMBL20335396 0.81 CTSL (0.52) CTSLCTSSCTSBCTSKTSHR
SCHEMBL20335433 0.81 CTSL (0.52) CTSLCTSSCTSBCTSKTSHR
SCHEMBL23693620 0.80 CTSB (0.54) CTSLCTSSCTSBCTSKPOLB
SCHEMBL23693158 0.79 POLB (0.42) CTSLCTSSCTSBCTSKPOLB
SCHEMBL23693285 0.79 CTSL (0.46) CTSLCTSSCTSBCTSK
SCHEMBL28649694 0.79 CTSL (0.52) CTSLCTSSCTSBCTSKPOLB

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-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 — — WO disclosed
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