SCHEMBL28026942

SCHEMBL28026942

[N-]=[N+]=NCC1C2CC3CC(C2)CC1(c1ccccc1)C3

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MAOB P27338 2/20 0.30
P2RX7 Q99572 1/20 0.30
FPR1 P21462 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL28026945 0.76 MAOB (0.40) HPGDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4607913 0.69 P2RX7 (0.40) ALDH1A1TSHRHPGDGRIN2DGRIN3B
SCHEMBL28313136 0.67 MAOB (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6687826 0.67 GRIN2D (0.39) OPRK1ALDH1A1TSHRHPGDGRIN2D
SCHEMBL21002245 0.67 CNR2 (0.38) OPRK1HPGDGRIN2DGRIN3BGRIN1
SCHEMBL5561167 0.66 KDM1A (0.38) ALDH1A1HPGDGRIN2DGRIN3BGRIN1
SCHEMBL5475255 0.64 HSD11B1 (0.44) ALDH1A1TSHRHPGDP2RX7HSD11B1
SCHEMBL27966414 0.64 HSD11B1 (0.37) ALDH1A1TSHRHPGDGRIN2DGRIN3B
SCHEMBL14350740 0.64 SLC6A2 (0.40)
SCHEMBL14350741 0.63 SLC6A2 (0.42)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104840975-B A kind of super-molecule assembling body and preparation method of targeted delivery siRNA 南开大学 2018-01-23 CN claimed
CN-104840975-A Supermolecular assembly for small interfering RNA targeting delivery and preparation method UNIV NANKAI 2015-08-19 CN claimed
CN-104840975-B A kind of super-molecule assembling body and preparation method of targeted delivery siRNA 南开大学 2018-01-23 CN disclosed
CN-104840975-A Supermolecular assembly for small interfering RNA targeting delivery and preparation method UNIV NANKAI 2015-08-19 CN disclosed