SCHEMBL29683752

SCHEMBL29683752

O=CC1CCN(c2ccc(Br)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
KCNH2 Q12809 2/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
KDM1B Q8NB78 1/20 0.34
NOTUM Q6P988 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 4/20 0.33
IDO1 P14902 3/20 0.33
TDO2 P48775 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY5R Q15761 1/20 0.32
MAPT P10636 1/20 0.32
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
SCHEMBL20211877 1.00 KDM1A (0.34) KDM1AKCNH2TRIM24TRIM33KDM1B
Hydrochloric Acid SCHEMBL17870558 0.77 ALDH1A1 (0.45) KDM1AMEN1KMT2AALDH1A1MAPT
SCHEMBL1814706 0.77 NOTUM (0.50) TRIM24TRIM33NOTUMALDH1A1KDM4E
SCHEMBL20231015 0.77 TRIM24 (0.44) TRIM24TRIM33KMT2AALDH1A1KDM4E
SCHEMBL29683585 0.76 MEN1 (0.39) KDM1AKCNH2KDM1BNOTUMMEN1
SCHEMBL20211863 0.76 MEN1 (0.39) KDM1AKCNH2KDM1BNOTUMMEN1
Hydrochloric Acid SCHEMBL1818467 0.76 NOTUM (0.49) TRIM24TRIM33NOTUMALDH1A1KDM4E
SCHEMBL28867024 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29937495 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL25437324 0.75 BPTF (0.52) MEN1KMT2AALDH1A1IDO1TDO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834201-A Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degrading agents 阿尔维纳斯运营股份有限公司 2024-10-25 CN disclosed
CN-110291087-B Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degrading agents 阿尔维纳斯运营股份有限公司 2024-07-09 CN disclosed
CN-114656452-B Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders 阿尔维纳斯运营股份有限公司 2023-01-17 CN disclosed
CN-114656452-A Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders 阿尔维纳斯运营股份有限公司 2022-06-24 CN disclosed