SCHEMBL7616385

SCHEMBL7616385

CCCCCC(CCN(C(N)=O)C1CCCOc2ccccc21)c1ccc(F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ DRD2 P14416 2/20 0.30
▸ HTR2A P28223 2/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL19405286 0.66 MC4R (0.37) —
SCHEMBL21423056 0.66 MC4R (0.37) —
SCHEMBL6338888 0.64 SLC6A2 (0.35) MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6339069 0.63 RECQL (0.36) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL27265698 0.62 NOTUM (0.38) LMNA
SCHEMBL22664585 0.62 NR1I2 (0.40) —
SCHEMBL6337401 0.60 KCNE1 (0.45) HTR2CMEN1ALDH1A1HTTKMT2A
SCHEMBL27265516 0.59 FAAH (0.39) ALDH1A1
SCHEMBL31287536 0.59 PDE2A (0.45) —
SCHEMBL12500530 0.58 MAPT (0.42) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 — — EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 — — WO disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 — — EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 — — WO disclosed
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