SCHEMBL7370780

SCHEMBL7370780

COCCNC(=O)C(Cc1ccccn1)NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1.COCCNC(=O)C(Cc1ccncc1)NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ GSAP A4D1B5 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5967197 0.95 KMT2A (0.43) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL5967246 0.92 MMP9 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5966862 0.83 HDAC6 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7371199 0.81 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967062 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7367592 0.80 HDAC6 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5966867 0.79 ALDH1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967381 0.78 KMT2A (0.44) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL7366981 0.77 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967262 0.75 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 — — EP claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS — 1998-08-20 — — WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 — — WO claimed
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