SCHEMBL20928014

SCHEMBL20928014

CCCN(CCC)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL17208375 0.94 ALDH1A1 (0.41) BCHEALDH1A1PKML3MBTL1MEN1
SCHEMBL17208378 0.94 ALDH1A1 (0.41) BCHEALDH1A1PKML3MBTL1MEN1
SCHEMBL2960396 0.92 BCHE (0.49) BCHEALDH1A1PKML3MBTL1MEN1
SCHEMBL2953586 0.88 ALDH1A1 (0.44) BCHEALDH1A1PKML3MBTL1MEN1
SCHEMBL623223 0.86 ALDH1A1 (0.42) BCHEALDH1A1PKML3MBTL1MEN1
SCHEMBL11980194 0.84 BCHE (0.44) BCHEALDH1A1PKML3MBTL1MEN1
SCHEMBL19380754 0.83 BCHE (0.54) BCHEALDH1A1PKML3MBTL1MEN1
SCHEMBL13201334 0.83 ALDH1A1 (0.43) BCHEALDH1A1PKMMEN1KMT2A
SCHEMBL13450555 0.83 ALDH1A1 (0.43) BCHEALDH1A1PKMMEN1KMT2A
SCHEMBL14492217 0.83 ALDH1A1 (0.43) BCHEALDH1A1PKMMEN1KMT2A

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-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 WO disclosed