SCHEMBL8589783

SCHEMBL8589783

CC(C)N(C(=O)CCCCCN)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.50
LMNA P02545 3/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLG P00747 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A2 P23975 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.36
ACHE P22303 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
CPB2 Q96IY4 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL13630664 0.89 KDM4C (0.41) LMNAKMT2AMEN1ALDH1A1KDM4C
SCHEMBL28236062 0.85 SOAT1 (0.39) PAOXLMNAKMT2AMEN1ALDH1A1
SCHEMBL22130340 0.83 KMT2A (0.36) LMNAKMT2AMEN1ALDH1A1ALOX15
SCHEMBL2835998 0.82 GABRP (0.36) LMNAKMT2AMEN1ALDH1A1SLC6A2
SCHEMBL23646889 0.81 CES2 (0.50) LMNAKMT2AMEN1ALDH1A1ALOX15
SCHEMBL6557508 0.81 CES2 (0.50) LMNAKMT2AMEN1ALDH1A1ALOX15
SCHEMBL6557859 0.81 CES2 (0.50) LMNAKMT2AMEN1ALDH1A1ALOX15
SCHEMBL23646902 0.81 CES2 (0.50) LMNAKMT2AMEN1ALDH1A1ALOX15
SCHEMBL11398429 0.81 CES2 (0.50) LMNAKMT2AMEN1ALDH1A1ALOX15
SCHEMBL25834706 0.81 CES2 (0.50) LMNAKMT2AMEN1ALDH1A1ALOX15

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-0672032-B1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES ASTRA AB (SE) 1998-01-07 EP disclosed
US-5693630-A FOR TREATMENT OF PSYCHIATRIC DISORDERS ASTRA AKTIEBOLAG (SE) 1997-12-02 US disclosed
EP-0672032-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES Astra Aktiebolag (SE) 1995-09-20 EP disclosed
WO-1995009835-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES ASTRA AKTIEBOLAG (SE) 1995-04-13 WO disclosed