SCHEMBL6629235

SCHEMBL6629235

COc1ccc(C2CNC(=O)N2c2ccccc2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL6629424 0.81 HTR7 (0.43) KMT2APOLBCYP3A4CYP2D6CYP2C9
SCHEMBL6629479 0.77 DRD1 (0.44) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4553559 0.75 QPCT (0.51) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL19423161 0.74 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6629684 0.73 PDE4A (0.55) POLBHSD17B10MAPK1TDP1PDE4A
SCHEMBL7364822 0.71 PDE4A (0.55) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6628069 0.70 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL20695860 0.69 TUBB4A (0.53) MAPTMEN1KMT2AL3MBTL1TSHR
SCHEMBL19423102 0.69 TUBB4A (0.53) MAPTMEN1KMT2AL3MBTL1TSHR
SCHEMBL13677704 0.69 PDE4A (0.76) MAPTKMT2AALDH1A1KDM4ELMNA

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
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed