SCHEMBL7067161

SCHEMBL7067161

Cc1ccccc1NC(=O)C(OC(N)=O)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
TSHR P16473 2/20 0.60
SIGMAR1 Q99720 3/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
POLB P06746 1/20 0.49
PYGL P06737 1/20 0.46
P2RX7 Q99572 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 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
SCHEMBL6715808 0.81 KMT2A (0.67) KMT2ATSHRSIGMAR1GRIN2DGRIN3B
SCHEMBL6723497 0.81 KMT2A (0.67) KMT2ATSHRSIGMAR1GRIN2DGRIN3B
SCHEMBL6715815 0.81 KMT2A (0.67) KMT2ATSHRSIGMAR1GRIN2DGRIN3B
Formic Acid SCHEMBL6717387 0.75 TSHR (0.61) KMT2ATSHRSIGMAR1GRIN2DGRIN3B
SCHEMBL6824922 0.75 KMT2A (0.63) KMT2ATSHRSIGMAR1GRIN2DGRIN3B
SCHEMBL29069819 0.74 EPHX1 (0.51) KMT2ATSHRMEN1SMN1; SMN2MAPT
SCHEMBL29069823 0.74 EPHX1 (0.51) KMT2ATSHRMEN1SMN1; SMN2MAPT
SCHEMBL813710 0.73 KMT2A (0.79) KMT2ATSHRTDP1MEN1HTT
SCHEMBL8346691 0.71 KMT2A (0.58) KMT2ATSHRPYGLTDP1TAS1R3
SCHEMBL8344791 0.71 KMT2A (0.58) KMT2ATSHRPYGLTDP1TAS1R3

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
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed