SCHEMBL23620904

SCHEMBL23620904

Nc1ccc(N2CCC(CCCC3CCN(c4ccc(N)cn4)CC3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
ENPP2 Q13822 4/20 0.41
MAPT P10636 4/20 0.40
PTPN11 Q06124 1/20 0.39
OGA O60502 1/20 0.38
DGAT1 O75907 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.37
TNF P01375 1/20 0.37
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL23634073 0.93 MAPT (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15651836 0.88 MAPT (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25195031 0.84 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23172319 0.84 PDE10A (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3440128 0.84 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2393898 0.83 MAOA (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29772111 0.81 NPY1R (0.43) ENPP2DGAT1SMN1; SMN2CHRM4
SCHEMBL15651878 0.81 JAK2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23623044 0.81 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20124827 0.80 HRH3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11061282-B2 Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element and polymer JSR CORPORATION (JP) 2021-07-13 US disclosed
US-11061282-B2 Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element and polymer JSR CORPORATION (JP) 2021-07-13 US disclosed