SCHEMBL7365401

SCHEMBL7365401

COC(=O)C(NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)c1cccs1.COC(=O)C(NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)c1csc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.39
PSEN1 P49768 12/20 0.39
PSEN2 P49810 12/20 0.39
APH1B Q8WW43 12/20 0.39
NCSTN Q92542 12/20 0.39
APH1A Q96BI3 12/20 0.39
PSENEN Q9NZ42 12/20 0.39
TSHR P16473 1/20 0.38
REN P00797 1/20 0.35
GSAP A4D1B5 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5967172 0.93 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967186 0.89 TSHR (0.46) TACR3PSEN1PSEN2APH1BNCSTN
SCHEMBL5967178 0.89 TSHR (0.46) TACR3PSEN1PSEN2APH1BNCSTN
SCHEMBL7369517 0.83 REN (0.44) TACR3PSEN1PSEN2APH1BNCSTN
SCHEMBL7392430 0.82 CMA1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967121 0.80 REN (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5966997 0.79 TSHR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967145 0.79 TSHR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7444671 0.79 TSHR (0.36) TACR3PSEN1PSEN2APH1BNCSTN
SCHEMBL7404787 0.76 PSEN1 (0.37) TACR3PSEN1PSEN2APH1BNCSTN

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