SCHEMBL29946558

SCHEMBL29946558

CCN1CCN(c2cccc(C=O)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.57
HTR7 P34969 1/20 0.51
GAA P10253 2/20 0.48
RAD52 P43351 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DRD2 P14416 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 2/20 0.44
KHK P50053 1/20 0.44

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
SCHEMBL29126309 1.00 CHRNA7 (0.57) CHRNA7HTR7GAARAD52ALDH1A1
SCHEMBL29442412 0.82 ALDH1A1 (0.64) HTR7GAAALDH1A1KDM4EMAPT
SCHEMBL1444185 0.82 ALDH1A1 (0.64) HTR7GAAALDH1A1KDM4EMAPT
SCHEMBL5356967 0.80 ALDH1A1 (0.66) CHRNA7GAARAD52ALDH1A1TDP1
SCHEMBL1443579 0.80 TRIM24 (0.60) HTR7GAAALDH1A1KDM4EMAPT
SCHEMBL29377692 0.80 TRIM24 (0.60) HTR7GAAALDH1A1KDM4EMAPT
SCHEMBL6729461 0.79 AR (0.46) CHRNA7HTR7GAARAD52DRD2
SCHEMBL18741400 0.79 CHRNA7 (0.62) CHRNA7HTR7GAARAD52ALDH1A1
SCHEMBL10294634 0.79 KCNH2 (0.69) CHRNA7KCNH2
SCHEMBL3210432 0.79 HTR7 (0.58) HTR7DRD2KCNH2

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-116981666-A Fused tetracyclic compound, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-10-31 CN disclosed
WO-2022199676-A1 FUSED TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-09-29 WO disclosed