SCHEMBL28026945

SCHEMBL28026945

NCC1C2CC3CC(C2)CC1(c1ccccc1)C3

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HPGD P15428 1/20 0.36
MAOA P21397 4/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL28313136 0.77 MAOB (0.42) MAOBHTR2CGRIN1GRIN2AGRIN2D
SCHEMBL28026942 0.76 OPRK1 (0.31) MAOBGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL4607913 0.75 P2RX7 (0.40) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL19173638 0.74 HTR2C (0.39) MAOBHTR2AHTR2CHTR2BGRIN1
SCHEMBL6687826 0.74 GRIN2D (0.39) MAOBGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL5561167 0.72 KDM1A (0.38) MAOBGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL5475255 0.70 HSD11B1 (0.44) HPGD
SCHEMBL27917474 0.70 MAOB (0.47) MAOBHTR2AHTR2CHTR2BMAOA
SCHEMBL27966414 0.70 HSD11B1 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21002245 0.70 CNR2 (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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-104840975-A Supermolecular assembly for small interfering RNA targeting delivery and preparation method UNIV NANKAI 2015-08-19 CN claimed
CN-104840975-A Supermolecular assembly for small interfering RNA targeting delivery and preparation method UNIV NANKAI 2015-08-19 CN disclosed