SCHEMBL7532248

SCHEMBL7532248

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.47
CTSB P07858 7/20 0.47
CTSS P25774 7/20 0.47
CTSK P43235 4/20 0.47
CTSD P07339 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LRRK2 Q5S007 2/20 0.39
TACR2 P21452 4/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7531423 0.92 CTSL (0.39) CTSLCTSBCTSSCTSKCTSD
SCHEMBL7531161 0.91 CTSL (0.47) CTSLCTSBCTSSCTSKCTSD
SCHEMBL7535944 0.86 MAPT (0.42) CTSLCTSBCTSSCTSKMAPT
SCHEMBL7533002 0.86 FAAH (0.38) CTSLCTSSCTSK
SCHEMBL7535316 0.86 CTSL (0.40) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7530295 0.85 FAAH (0.35) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7529863 0.84 TACR2 (0.38) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7529882 0.84 CTSB (0.57) CTSLCTSBCTSSCTSKMAPT
SCHEMBL7536589 0.83 SMN1; SMN2 (0.41) CTSSALDH1A1MAPTNPC1RAB9A
SCHEMBL7531988 0.82 SLC6A5 (0.42) ALDH1A1MAPTNPC1RAB9AKDM4E

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed