SCHEMBL8664324

SCHEMBL8664324

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MTR Q99707 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ SCN1A P35498 5/20 0.34
▸ SCN5A Q14524 5/20 0.34
▸ SCN9A Q15858 5/20 0.34
▸ C5AR1 P21730 4/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33

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
SCHEMBL8485778 0.96 NPY1R (0.37) NPY1RNPY5RGAANPSR1POLB
SCHEMBL8664248 0.94 PSEN1 (0.34) NPY1RNPY5RGAANPSR1POLB
SCHEMBL8502233 0.94 GAA (0.34) NPY1RNPY5RGAANPSR1POLB
SCHEMBL8666699 0.93 NPY1R (0.33) NPY1RNPY5RGAANPSR1POLB
SCHEMBL8487926 0.90 NPY1R (0.36) NPY1RNPY5RGAANPSR1POLB
SCHEMBL8479608 0.89 NPY1R (0.36) NPY1RNPY5RGAANPSR1POLB
SCHEMBL8503703 0.88 PSEN1 (0.36) GAANPSR1POLBMTRLMNA
SCHEMBL8503792 0.87 POLB (0.33) GAANPSR1POLBRORCPSEN1
SCHEMBL8479387 0.83 RORC (0.36) NPY1RNPY5RGAANPSR1AOC3
SCHEMBL8593680 0.82 POLB (0.42) NPSR1POLBLMNAPSEN1PSEN2

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
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