SCHEMBL20075879

SCHEMBL20075879

COCCN(C)C1CCN(C(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PIK3CD O00329 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 8/20 0.33
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TSHR P16473 1/20 0.30
PGR P06401 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
SCHEMBL23588630 1.00 POLB (0.40) POLBALDH1A1PIK3CDCYP2D6HRH1
SCHEMBL20906896 1.00 POLB (0.40) POLBALDH1A1PIK3CDCYP2D6HRH1
SCHEMBL21038822 0.90 POLB (0.44) POLBALDH1A1PIK3CDCYP2D6HRH1
SCHEMBL24359072 0.86 PIK3CD (0.38) POLBALDH1A1PIK3CD
SCHEMBL20046564 0.86 SLC6A4 (0.35) POLBHRH3SLC6A4SLC6A2SLC6A3
SCHEMBL16997004 0.81 TSHR (0.43) PIK3CDCYP2D6KCNH2HRH3PTPN7
SCHEMBL12885052 0.81 HRH3 (0.37) KCNH2HRH3SLC6A4TSHRPGR
SCHEMBL25461023 0.80 HRH3 (0.36) KCNH2HRH3TSHRPGR
SCHEMBL25461035 0.80 HRH3 (0.36) KCNH2HRH3TSHRPGR
SCHEMBL18501245 0.79 HRH3 (0.41) KCNH2HRH3TSHRPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed