SCHEMBL23536762

SCHEMBL23536762

O=C(O)c1nccnc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL31736542 1.00 HTR2C (0.44) HTR2CEPHX2ALDH1A1KDM4E
SCHEMBL4060441 0.85 HTR2C (0.43) HTR2CEPHX2ALDH1A1KDM4E
SCHEMBL5466087 0.79 POLB (0.52) ALDH1A1KDM4E
SCHEMBL29563688 0.79 CHIA (0.46) ALDH1A1
SCHEMBL1760423 0.79 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL30855570 0.79 POLB (0.52) ALDH1A1KDM4E
SCHEMBL13116668 0.79 HTR2C (0.56) HTR2CEPHX2ALDH1A1KDM4E
SCHEMBL4805575 0.79 EPHX2 (0.40) HTR2CEPHX2
SCHEMBL874422 0.78 HRH1 (0.41) HTR2CALDH1A1KDM4E
SCHEMBL27686764 0.78 ALDH1A1 (0.39) HTR2CALDH1A1KDM4E

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
WO-2021127443-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. (US) 2021-06-24 WO disclosed