SCHEMBL8549162

SCHEMBL8549162

Cc1ccc(C(=O)CN2CCC[C@H]2C(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.55
SCN2A Q99250 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SCN5A Q14524 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8549164 1.00 CTSK (0.55) CTSKSCN2AALDH1A1MEN1KMT2A
SCHEMBL8543316 0.93 CTSK (0.53) CTSKALDH1A1MEN1KMT2ANPC1
SCHEMBL8543314 0.93 CTSK (0.53) CTSKALDH1A1MEN1KMT2ANPC1
SCHEMBL8548835 0.90 CTSK (0.49) CTSKALDH1A1MEN1KMT2ANPC1
SCHEMBL8548841 0.90 CTSK (0.49) CTSKALDH1A1MEN1KMT2ANPC1
SCHEMBL8543065 0.89 CTSK (0.54) CTSKSCN2AALDH1A1MEN1KMT2A
SCHEMBL8544630 0.89 CTSK (0.48) CTSKALDH1A1MAPTLMNA
SCHEMBL8544632 0.89 CTSK (0.48) CTSKALDH1A1MAPTLMNA
SCHEMBL8543070 0.89 CTSK (0.54) CTSKSCN2AALDH1A1MEN1KMT2A
SCHEMBL8545017 0.89 CTSK (0.48) CTSKALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed