SCHEMBL7252114

SCHEMBL7252114

CC1C(=O)N(NC(=O)[C@H](C)NC(=O)C(O)C2CCCC2)c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.46
PSEN2 P49810 16/20 0.46
APH1B Q8WW43 16/20 0.46
NCSTN Q92542 16/20 0.46
APH1A Q96BI3 16/20 0.46
PSENEN Q9NZ42 16/20 0.46
SPPL2A Q8TCT8 1/20 0.41
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 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
SCHEMBL7253644 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7248440 0.87 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6388119 0.87 CYP2C19 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4420632 0.85 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6426665 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4989465 0.84 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6305434 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6772193 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6768537 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4422130 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635632-B1 Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-10-21 US claimed