SCHEMBL21556932

SCHEMBL21556932

C=C(N)NCc1cccc(CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
NOS1 P29475 3/20 0.39
NOS2 P35228 2/20 0.39
CYP2D6 P10635 1/20 0.39
NOS3 P29474 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL8191007 0.83 RECQL (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19361212 0.83 NOS1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19154600 0.79 ALDH1A1 (0.54) ALDH1A1CYP2D6HPGD
SCHEMBL11621609 0.77 CYP3A4 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL380954 0.75 CNR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8510208 0.74 CYP1A2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8491487 0.74 KDM4E (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18401334 0.74 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10726344 0.74 ALOX12 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL11206259 0.72 ALOX12 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed