SCHEMBL14536233

SCHEMBL14536233

Cc1cc(N2CCC[C@H](CCO)C2)c2c(C)c(C)n(-c3c(C)cc(Br)cc3C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
CRHR1 P34998 5/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PDE10A Q9Y233 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL1637989 1.00 TDP1 (0.35) TDP1CRHR1KDM4EALDH1A1LMNA
SCHEMBL1636119 0.89 TDP1 (0.37) TDP1CRHR1KDM4EALDH1A1MAPT
SCHEMBL1637509 0.85 CRHR1 (0.48) TDP1CRHR1PDE10AKHK
SCHEMBL1637162 0.84 CRHR1 (0.33) CRHR1KDM4EALDH1A1LMNAMAPT
SCHEMBL1637854 0.83 TDP1 (0.40) TDP1CRHR1KDM4E
SCHEMBL1637184 0.82 CRHR1 (0.37) TDP1CRHR1KDM4EMAPTPDE10A
SCHEMBL1637055 0.81 CRHR1 (0.35) CRHR1KDM4EALDH1A1
SCHEMBL12535024 0.81 CRHR1 (0.35) CRHR1
SCHEMBL1637778 0.81 TDP1 (0.32) TDP1CRHR1KDM4E
SCHEMBL12593376 0.81 CRHR1 (0.41) TDP1CRHR1KDM4EMAPT

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-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP disclosed