SCHEMBL8664248

SCHEMBL8664248

CCCCc1c(N2CCC(N3Cc4ccccc4C3=O)C2)ccc2c1C(C(=O)NCC(F)(F)C(F)(F)F)c1ccccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ MTR Q99707 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ SCN1A P35498 5/20 0.33
▸ SCN5A Q14524 5/20 0.33
▸ SCN9A Q15858 5/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ C5AR1 P21730 4/20 0.33
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8666699 0.96 NPY1R (0.33) NPY1RNPY5RRORCPOLBAOC3
SCHEMBL8487926 0.96 NPY1R (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8664324 0.94 NPY1R (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8503703 0.94 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8479608 0.92 NPY1R (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8503792 0.90 POLB (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8485778 0.90 NPY1R (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8502233 0.88 GAA (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8485593 0.81 NPY1R (0.40) NPY1RNPY5RAOC3MTRKDM5A
SCHEMBL8668074 0.79 DRD2 (0.37) POLBGAANPSR1LMNA

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-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
Send feedback