SCHEMBL2789419

SCHEMBL2789419

COC(=O)CN1CCCCC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TACR1 P25103 2/20 0.49
RIPK1 Q13546 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9367070 0.88 KDM4E (0.46) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL28836843 0.86 OPRK1 (0.55) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL27984494 0.86 OPRM1 (0.42) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL27984087 0.86 KDM4E (0.50) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL27984090 0.84 RIPK1 (0.52) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL6092369 0.83 KDM4E (0.58) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL28945745 0.83 KDM4E (0.58) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL10775133 0.82 KDM4E (0.56) KMT2AMEN1HPGDALDH1A1KDM4E
Hydrochloric Acid SCHEMBL12480511 0.82 KDM4E (0.56) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL10775129 0.82 KDM4E (0.56) KMT2AMEN1HPGDALDH1A1KDM4E

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-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP claimed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO claimed
CN-114929724-A Human aminosterol ENT-03 compounds, related compositions comprising the same, and methods of use thereof 因特尔公司 2022-08-19 CN disclosed
WO-2010144043-A1 A NOVEL 4-METHYLBENZENESULPHONATE SALT AND A PROCESS FOR PREPARING A PHARMACEUTICAL COMPOSITION COMPRISING THE SALT ASTRAZENECA AB (SE) 2010-12-16 WO disclosed