SCHEMBL8329590

SCHEMBL8329590

O=C(O)CN1CCN(C(=O)NC(=O)Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL7412504 0.83 GAA (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8186034 0.82 FAAH (0.46) FAAHALDH1A1KDM4EHSD11B1MAPT
SCHEMBL8066357 0.82 GAA (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7412108 0.79 POLB (0.55) ALDH1A1KDM4EHSD11B1MAPTSIGMAR1
SCHEMBL7108356 0.79 KDM4E (0.74) ALDH1A1KDM4EMEN1KMT2AHTR1A
SCHEMBL7414197 0.78 SIGMAR1 (0.50) FAAHALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL7108298 0.78 KDM4E (0.72) ALDH1A1KDM4EMEN1KMT2AHTR1A
SCHEMBL7412711 0.78 NAMPT (0.48) FAAHALDH1A1KDM4EMAPTHDAC8
SCHEMBL8403770 0.77 L3MBTL1 (0.67) FAAHALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL7414475 0.75 KDM4E (0.60) ALDH1A1KDM4EMAPTSIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 — — EP disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 — — EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 — — WO disclosed
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