SCHEMBL7300655

SCHEMBL7300655

CC(C)CN(CC(O)C(O)C(N)CC1CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
METAP1 P53582 3/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
REN P00797 8/20 0.40
ENPP2 Q13822 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
Hydrochloric Acid SCHEMBL10775299 0.93 METAP2 (0.44) METAP2METAP1CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL10775294 0.93 METAP2 (0.44) METAP2METAP1CTSLCTSBCTSS
SCHEMBL469826 0.79 LAP3 (0.47) CTSBREN
SCHEMBL27724013 0.79 LAP3 (0.47) CTSBREN
Hydrochloric Acid SCHEMBL3092868 0.78 LAP3 (0.46) CTSBREN
SCHEMBL9770915 0.78 METAP2 (0.53) METAP2METAP1CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL10771857 0.77 METAP2 (0.41) METAP2METAP1CTSLCTSBCTSS
SCHEMBL8243588 0.77 CTSL (0.49) METAP2METAP1CTSLCTSBCTSS
SCHEMBL1859681 0.76 SIGMAR1 (0.48) METAP2METAP1CTSLCTSBCTSS
SCHEMBL1861189 0.76 SIGMAR1 (0.48) METAP2METAP1CTSLCTSBCTSS

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
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed