SCHEMBL3698002

SCHEMBL3698002

Cc1ccccc1-c1ccc(N2CCN(CCO)CC2)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.40
CREBBP Q92793 1/20 0.40
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HTT P42858 1/20 0.39
SMYD2 Q9NRG4 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL6438505 0.87 HTR7 (0.50) MEN1KMT2AHTR7ALDH1A1LMNA
SCHEMBL3688350 0.86 ALDH1A1 (0.52) MAPTMEN1KMT2AHTR7ALDH1A1
SCHEMBL3686777 0.78 PDCD1 (0.37) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL2481062 0.77 MAPT (0.55) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL3690932 0.76 HRH3 (0.47) ALDH1A1L3MBTL1SMYD2
SCHEMBL3686776 0.74 PDCD1 (0.39) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL3688464 0.74 PDCD1 (0.39) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL6435195 0.74 DRD2 (0.46) MAPTMEN1KMT2AHTR7ALDH1A1
SCHEMBL7289302 0.73 DRD2 (0.58) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL3685752 0.71 CYP1A2 (0.56) MAPTMEN1KMT2AHTR7ALDH1A1

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
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed