SCHEMBL7093379

SCHEMBL7093379

CC(=O)N/C=C(\c1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
NR3C2 P08235 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CES1 P23141 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7093380 1.00 NPSR1 (0.43) NPSR1MTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL7090105 0.85 NPC1 (0.46) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL7090110 0.85 NPC1 (0.46) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL7092979 0.83 ALDH1A1 (0.42) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL7092976 0.83 ALDH1A1 (0.42) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL7091213 0.73 RAB9A (0.49) KMT2AALDH1A1HTTNPC1POLB
SCHEMBL28910418 0.73 NPSR1 (0.50) NPSR1KMT2AALDH1A1HTTNPC1
SCHEMBL19435735 0.72 MTNR1A (0.43) NPSR1MTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL6648938 0.72 AKR1C1 (0.50) MTNR1AMTNR1BKMT2AALDH1A1HTT
SCHEMBL19435736 0.72 MTNR1A (0.43) NPSR1MTNR1AMTNR1BKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO claimed
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed