SCHEMBL28642097

SCHEMBL28642097

CCC(C)c1cc(F)cc2c1CN(C1CCCNC1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36
▸ HTR2B P41595 16/20 0.34
▸ HTR2C P28335 15/20 0.34
▸ HTR2A P28223 14/20 0.34
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ CBLB Q13191 2/20 0.31
▸ MAPK1 P28482 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
SCHEMBL28625341 0.89 PARP1 (0.40) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30351742 0.75 PARP1 (0.38) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL21932850 0.75 CRBN (0.48) —
SCHEMBL30352171 0.73 PARP1 (0.38) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL27093617 0.73 PARP1 (0.41) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30004312 0.73 PARP1 (0.41) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30351948 0.72 PARP1 (0.37) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL16382727 0.72 PARP1 (0.49) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL21008766 0.72 PARP1 (0.49) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30351930 0.71 PARP1 (0.37) PARP1HTR2BHTR2CHTR3EHTR3B

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-113423701-A Substituted isoindolinones 拜欧斯瑞克斯公司 2021-09-21 — — CN disclosed
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