SCHEMBL30336242

SCHEMBL30336242

CC1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
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
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
OGA O60502 1/20 0.43

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
SCHEMBL12832973 1.00 MAPT (0.57) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29177222 0.90 SMPD3 (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20124827 0.84 HRH3 (0.54) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12875446 0.83 GRIN2D (0.47) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3665634 0.83 PTPN11 (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19998348 0.83 GRIN2D (0.59) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29499599 0.83 GRIN2D (0.59) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25567554 0.83 GRIN2D (0.43) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL853768 0.83 GRIN2D (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25195031 0.82 GRIN2D (0.46) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed