SCHEMBL28829153

SCHEMBL28829153

[CH]1CC2CCC1c1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
IDO1 P14902 2/20 0.31
HTR2C P28335 2/20 0.31
PDPK1 O15530 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL5352821 0.79 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6940509 0.74 CHRNB4 (0.50) CHRNB4CHRNA3IDO1HTR2CPDPK1
SCHEMBL3425103 0.74 CHRNB4 (0.50) CHRNB4CHRNA3IDO1HTR2CPDPK1
SCHEMBL779515 0.71 SLC18A3 (0.43)
SCHEMBL23797352 0.69 CHRNB4 (0.59) CHRNB4CHRNA3IDO1HTR2CPDPK1
SCHEMBL13815519 0.69 HTR2A (0.35) CHRNB4CHRNA3IDO1HTR2CPDPK1
SCHEMBL1201800 0.69 HTR2A (0.35) CHRNB4CHRNA3IDO1HTR2CPDPK1
SCHEMBL221689 0.69 CHRNB4 (0.59) CHRNB4CHRNA3IDO1HTR2CPDPK1
SCHEMBL30166929 0.69 CHRNB4 (0.59) CHRNB4CHRNA3IDO1HTR2CPDPK1
SCHEMBL2913620 0.67 CHRNB4 (0.44) CHRNB4CHRNA3IDO1HTR2CPDPK1

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-115176005-A Compositions and methods for treating hemoglobinopathies 诺华股份有限公司 2022-10-11 CN disclosed
CN-114828959-A 3- (5-methoxy-1-oxoisoindolin-2-yl) piperidine-2, 6-dione derivatives and uses thereof 诺华股份有限公司 2022-07-29 CN disclosed