SCHEMBL9315232

SCHEMBL9315232

CCC(=NCc1ccccc1)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.59
GRIN2B Q13224 3/20 0.59
GRIN2D O15399 2/20 0.59
GRIN3B O60391 2/20 0.59
GRIN2A Q12879 2/20 0.59
GRIN2C Q14957 2/20 0.59
GRIN3A Q8TCU5 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
NOS2 P35228 1/20 0.46
ALOX12 P18054 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALPL P05186 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
RIPK1 Q13546 1/20 0.44

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
SCHEMBL9315226 1.00 GRIN1 (0.59) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL11800955 0.88 GRIN1 (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL11800959 0.88 GRIN1 (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL3067635 0.78 GRIN1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL3067630 0.78 GRIN1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL16443508 0.77 GRIN2B (0.67) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4893125 0.76 MCL1 (0.46) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4893130 0.76 P2RX7 (0.45) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4893133 0.76 MCL1 (0.46) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL1275831 0.74 GRIN2B (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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-5286752-A Antiarrhythmic diarylamidines STERLING WINTHROP INC. (US) 1994-02-15 US disclosed