SCHEMBL7369517

SCHEMBL7369517

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.44
TSHR P16473 1/20 0.41
PSEN1 P49768 13/20 0.39
PSEN2 P49810 13/20 0.39
APH1B Q8WW43 13/20 0.39
NCSTN Q92542 13/20 0.39
APH1A Q96BI3 13/20 0.39
PSENEN Q9NZ42 13/20 0.39
TACR3 P29371 1/20 0.37
CCR2 P41597 1/20 0.36
GSAP A4D1B5 1/20 0.36

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
SCHEMBL5967121 0.97 REN (0.44) RENTSHRPSEN1PSEN2APH1B
SCHEMBL5967186 0.93 TSHR (0.46) RENTSHRPSEN1PSEN2APH1B
SCHEMBL5967178 0.93 TSHR (0.46) RENTSHRPSEN1PSEN2APH1B
SCHEMBL5967145 0.83 TSHR (0.45) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL5966997 0.83 TSHR (0.45) RENTSHRPSEN1PSEN2APH1B
SCHEMBL7365401 0.83 TACR3 (0.39) RENTSHRPSEN1PSEN2APH1B
SCHEMBL23476580 0.82 PSEN1 (0.47) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL1360317 0.82 PSEN1 (0.47) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL14876684 0.82 PSEN1 (0.47) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL1360313 0.82 PSEN1 (0.47) RENPSEN1PSEN2APH1BNCSTN

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