SCHEMBL23355207

SCHEMBL23355207

C/C=C(/O)N1CCN(c2ccc(-n3cnn([C@@H](C)CC)c3=O)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
LMNA P02545 3/20 0.73
KDM4E B2RXH2 2/20 0.73
GAA P10253 2/20 0.73
ALDH1A1 P00352 1/20 0.73
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
DGAT1 O75907 6/20 0.62
CYP3A4 P08684 11/20 0.40
MEN1 O00255 1/20 0.40
ABCB11 O95342 1/20 0.40
FYN P06241 1/20 0.40
ABCB1 P08183 1/20 0.40
CXCR1 P25024 1/20 0.40
TACR1 P25103 1/20 0.40
MAPK1 P28482 1/20 0.40
AVPR2 P30518 1/20 0.40
CCR4 P51679 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL19730460 0.86 MAPT (0.80) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL12240584 0.86 MAPT (0.80) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL23678506 0.86 MAPT (0.80) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL3107523 0.85 MAPT (1.00) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL2543291 0.85 MAPT (1.00) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL3111183 0.85 MAPT (1.00) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL23355483 0.83 MAPT (0.80) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL16975619 0.83 MAPT (0.80) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL20639645 0.82 MAPT (0.78) MAPTLMNAKDM4EGAAALDH1A1
SCHEMBL21845834 0.82 MAPT (0.78) MAPTLMNAKDM4EGAAALDH1A1

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
EP-3250036-B1 SMALL MOLECULE INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2021-05-12 EP disclosed