SCHEMBL8921374

SCHEMBL8921374

NC(=NC1CCCCC1)N(NC1CCCCC1)C(=NC1CC2CCC1C2)NC1CC2CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.50
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 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
SCHEMBL6154330 0.81 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154332 0.72 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9317629 0.68 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720957 0.68 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17710548 0.68 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724127 0.65 SIGMAR1 (0.52) SIGMAR1EPHX1CYP2D6MEN1KMT2A
SCHEMBL6154900 0.64 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3068525 0.63 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3076553 0.61 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3058574 0.61 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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
US-5681861-A BLOCKING VOLTAGE SENSITIVE SODIUM AND CALCIUM CHANNELS IN MAMMALIAN NERVE CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-10-28 US disclosed