SCHEMBL7396398

SCHEMBL7396398

CC(=O)N(Cc1ccncc1)c1[nH]c2ccc(-c3cccc4ccccc34)cc2c1CCN

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.38
FNTB P49356 13/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTR6 P50406 1/20 0.35
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
ALOX5 P09917 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
F3 P13726 1/20 0.33

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
SCHEMBL7403823 0.93 MTNR1A (0.39) MTNR1AMTNR1BMCL1ACMSD
SCHEMBL7392200 0.86 MTNR1A (0.47) MTNR1AMTNR1BHTR6ALOX5
SCHEMBL7401683 0.85 HDAC6 (0.40) MTNR1AMTNR1B
SCHEMBL7398662 0.84 MTNR1A (0.37) MTNR1AMTNR1BMCL1ACMSD
SCHEMBL7396434 0.82 MTNR1A (0.36) MTNR1AMTNR1BMCL1ACMSD
SCHEMBL7399608 0.80 MTNR1A (0.37) MTNR1AMTNR1BHTR6TLR8TLR7
SCHEMBL7400412 0.78 MTNR1A (0.36) MTNR1AMTNR1BHTR6MCL1ACMSD
SCHEMBL7315194 0.72 HTR6 (0.36) FNTAFNTBHTR6MCL1ACMSD
Hydrochloric Acid SCHEMBL7399520 0.68 F2 (0.39) MTNR1AMTNR1BHTR6MCL1ACMSD
Hydrochloric Acid SCHEMBL7400195 0.68 PPARG (0.39) MTNR1AMTNR1BMCL1ACMSD

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-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed