SCHEMBL9512342

SCHEMBL9512342

C[C@H](C(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.38
CTSK P43235 4/20 0.37
CTSB P07858 3/20 0.36
PREP P48147 1/20 0.34
ELANE P08246 1/20 0.34
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CTSD P07339 1/20 0.32
CTSS P25774 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL27479107 0.81 CTSL (0.37) CTSLCTSKCTSBPREPELANE
SCHEMBL2096750 0.78 CTSK (0.45) CTSLCTSKCTSBPREPUSP2
SCHEMBL9512325 0.76 CTSK (0.46) CTSLCTSKCTSBPREPUSP2
SCHEMBL9512357 0.76 CTSK (0.46) CTSLCTSKCTSBPREPUSP2
SCHEMBL28861849 0.69 DPP7 (0.37) SMN1; SMN2TSHRKDM4E
SCHEMBL5011681 0.67 CTSS (0.50) CTSLCTSKKMT2AKDM4ECTSS
SCHEMBL27485069 0.67 CTSS (0.50) CTSLCTSKKMT2AKDM4ECTSS
Proline SCHEMBL8645011 0.67 PSENEN (0.47) CTSLCTSKKMT2ACTSDCTSS
SCHEMBL8645014 0.67 CTSS (0.46) CTSLCTSKKMT2ACTSS
SCHEMBL23050302 0.67 CTSK (0.53) CTSLCTSKCTSBPREPELANE

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-0254545-B1 DIAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-06 EP disclosed
EP-0254545-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 EP disclosed