SCHEMBL28650618

SCHEMBL28650618

O=C1c2cccc(NCCOCC3CCNCC3)c2CN1C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ HTR2B P41595 8/20 0.38
▸ HTR2C P28335 7/20 0.38
▸ HTR2A P28223 6/20 0.38
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ MAP1LC3B Q9GZQ8 2/20 0.35
▸ CHRM3 P20309 3/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL30493286 0.86 STAT3 (0.44) STAT3PARP1HTR2BHTR2CHTR2A
SCHEMBL30069969 0.83 PARP1 (0.43) STAT3PARP1HTR2BHTR2CHTR2A
SCHEMBL21998222 0.80 STAT3 (0.58) STAT3MAP1LC3B
SCHEMBL29414342 0.79 HTR2B (0.41) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL28692317 0.79 HTR2B (0.41) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL31129783 0.72 HTR2B (0.43) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL19481469 0.72 STAT3 (0.46) STAT3MAP1LC3BMAPK1
SCHEMBL660471 0.71 HTR2B (0.62) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30659847 0.71 PARP1 (0.49) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30698072 0.71 HTR2B (0.62) PARP1HTR2BHTR2CHTR2AHTR3E

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-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 — — CN disclosed
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