SCHEMBL8503703

SCHEMBL8503703

CCCCc1c(N2CC(N3Cc4ccccc4C3=O)C2)ccc2c1C(C(=O)NCC(F)(F)C(F)(F)F)c1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ SCN1A P35498 2/20 0.30
▸ SCN5A Q14524 2/20 0.30
▸ SCN9A Q15858 2/20 0.30
▸ MTR Q99707 1/20 0.30

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
SCHEMBL8503792 0.96 POLB (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8664248 0.94 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8502233 0.94 GAA (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8487926 0.93 NPY1R (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8666699 0.90 NPY1R (0.33) POLBGAANPSR1RORCLMNA
SCHEMBL8479608 0.88 NPY1R (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8664324 0.88 NPY1R (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8485778 0.87 NPY1R (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8627056 0.79 POLB (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8503794 0.78 DRD2 (0.38) POLB

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-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
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