SCHEMBL30299397

SCHEMBL30299397

CN(C)C1CCN(CC=Cc2ccc(C3(N)N=C(N)NN3)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAP4K4 O95819 2/20 0.32
OPRD1 P41143 2/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GRIN2B Q13224 4/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MCHR1 Q99705 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
SCHEMBL30299316 0.90 ALDH1A1 (0.36) ALDH1A1OPRD1GRIN2B
SCHEMBL30299380 0.83 PRKCQ (0.31)
SCHEMBL30299400 0.80 LTA4H (0.47) ALDH1A1OPRD1HRH1HRH3HTR2A
SCHEMBL30299386 0.79 SIGMAR1 (0.40) ALDH1A1OPRD1HRH1HRH3HTR2A
SCHEMBL30299348 0.79 GPR4 (0.42) ALDH1A1HRH3
SCHEMBL30299272 0.79 LTA4H (0.46) ALDH1A1OPRD1HRH1HRH3HTR2A
SCHEMBL30299399 0.79 GPR4 (0.37) ALDH1A1SIGMAR1
SCHEMBL30299358 0.78 GPR4 (0.43) ALDH1A1HRH3
SCHEMBL30299395 0.77 TSHR (0.38) ALDH1A1OPRD1HRH1HTR2AHTR2B
SCHEMBL30299394 0.77 GPR4 (0.43) ALDH1A1OPRD1HRH1HRH3HTR2A

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-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed