SCHEMBL10422410

SCHEMBL10422410

CC(C)C[C@@H](C(O)CSC1=NCCS1)N(C(=O)OC(C)(C)C)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ REN P00797 16/20 0.35
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10421152 0.88 APP (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL10421638 0.86 REN (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL10421144 0.85 APP (0.35) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL10421167 0.84 PSEN1 (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL10422409 0.81 REN (0.51) REN
SCHEMBL9822366 0.78 REN (0.43) REN
SCHEMBL10422719 0.77 REN (0.47) REN
SCHEMBL10421176 0.77 REN (0.47) REN
SCHEMBL7303899 0.77 CTSD (0.42) REN
SCHEMBL10632103 0.75 CTSD (0.48) REN

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
US-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
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