SCHEMBL6449542

SCHEMBL6449542

CC1CC(N2CCCC2)CCN1c1ccc(-c2ccccc2)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
L3MBTL3 Q96JM7 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MBTD1 Q05BQ5 1/20 0.35
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ERN1 O75460 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
NPY2R P49146 1/20 0.32
USP30 Q70CQ3 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL3690932 0.70 HRH3 (0.47) L3MBTL3L3MBTL1MBTD1HRH3NPY2R
SCHEMBL6247173 0.69 AR (0.46) ACHEL3MBTL1CYP2C19MEN1MAPT
SCHEMBL411118 0.65 GFER (0.46) GAAERN1CYP2C19POLBALDH1A1
SCHEMBL12084945 0.64 MEN1 (0.52) L3MBTL1KDM4EERN1ALDH1A1MEN1
SCHEMBL406932 0.63 AR (0.43) ERN1CYP2C19POLBALDH1A1MEN1
SCHEMBL14528873 0.62 L3MBTL1 (0.45) SIGMAR1L3MBTL3L3MBTL1MBTD1GAA
SCHEMBL24254398 0.60 KDM4E (0.49) KDM4EERN1ALDH1A1MEN1MAPT
SCHEMBL11214658 0.60 ERN1 (0.47) KDM4EERN1ALDH1A1MEN1MAPT
SCHEMBL6773381 0.60 ALDH1A1 (0.54) KDM4EERN1BRD4TSHRALDH1A1
SCHEMBL4145248 0.59 GRIN2B (0.51) HRH3TSHR

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-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