SCHEMBL7399608

SCHEMBL7399608

CC(=O)N(c1cccnc1)c1[nH]c2ccc(-c3cccc4ccccc34)cc2c1CCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HTR6 P50406 1/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
WNT1 P04628 3/20 0.34
DYRK1A Q13627 3/20 0.34
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
HTR2C P28335 2/20 0.34
CHEK1 O14757 1/20 0.33
ALK Q9UM73 1/20 0.33
KDR P35968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL7400412 0.82 MTNR1A (0.36) MTNR1AMTNR1BHTR6TLR8TLR7
SCHEMBL7396398 0.80 FNTA (0.38) MTNR1AMTNR1BHTR6TLR8TLR7
SCHEMBL7403823 0.78 MTNR1A (0.39) MTNR1AMTNR1BGSK3BADK
SCHEMBL7396434 0.75 MTNR1A (0.36) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL7398662 0.75 MTNR1A (0.37) MTNR1AMTNR1BKDM4EHSD17B10GSK3B
SCHEMBL7392200 0.73 MTNR1A (0.47) MTNR1AMTNR1BHTR6KDM4EHSD17B10
SCHEMBL7314014 0.73 HTR6 (0.35) HTR6GSK3BGSK3AHTR2CCHEK1
SCHEMBL7401683 0.73 HDAC6 (0.40) MTNR1AMTNR1BHTR2C
Hydrochloric Acid SCHEMBL7403768 0.68 CA12 (0.42) MTNR1AMTNR1BHTR6
SCHEMBL3928158 0.66 PIK3CD (0.50) GSK3B

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