SCHEMBL28618030

SCHEMBL28618030

NN1C(=O)CCc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
CRBN Q96SW2 2/20 0.38
MTNR1A P48039 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
DRD2 P14416 2/20 0.36
CHRM1 P11229 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
ADRA2A P08913 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
SCHEMBL46384 0.79 SRD5A1 (0.45) HDAC1HDAC6CRBNMTNR1AHTR2A
SCHEMBL24158353 0.75 ADRA2A (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28709051 0.75 MTNR1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28708105 0.75 CYP1A2 (0.48) GRIN1GRIN2BHDAC1HDAC6CRBN
SCHEMBL13019291 0.75 MTNR1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9514825 0.75 CRBN (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13068413 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28685861 0.71 POLB (0.61) HDAC1HDAC6HDAC8DRD2CHRM1
SCHEMBL21216167 0.70 MTNR1A (0.38) HDAC1HDAC6CRBNMTNR1AHDAC8
SCHEMBL3389475 0.69 POLB (0.51) HTR2ADRD2CHRM1DRD4DRD3

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
CN-113272305-A Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2021-08-17 CN disclosed