SCHEMBL8840191

SCHEMBL8840191

CN(C(=O)NC(CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)CN(CCc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.43
PSEN2 P49810 11/20 0.43
APH1B Q8WW43 11/20 0.43
NCSTN Q92542 11/20 0.43
APH1A Q96BI3 11/20 0.43
PSENEN Q9NZ42 11/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP3A4 P08684 3/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
CACNA1F O60840 1/20 0.40
ABCB11 O95342 1/20 0.40
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
TACR2 P21452 1/20 0.40
TBXAS1 P24557 1/20 0.40

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
SCHEMBL6226592 1.00 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840102 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6224253 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840099 0.92 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6228063 0.92 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840094 0.92 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6224660 0.92 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6251415 0.91 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840214 0.91 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5401860 0.91 PSEN1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622949-A AIDS THERAPY G. D. SEARLE & CO. (US) 1997-04-22 US disclosed
US-5620977-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-04-15 US disclosed