SCHEMBL3673339

SCHEMBL3673339

COc1ccc(CO)c2c1nc1n2CCCN1c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.58
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR8 Q9NR97 1/20 0.36
HPGD P15428 1/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL3672341 0.88 CRHR1 (0.67) CRHR1TLR8
SCHEMBL3672323 0.83 CRHR1 (0.65) CRHR1ALDH1A1GAALMNAKDM4E
SCHEMBL3761197 0.83 CRHR1 (0.55) CRHR1ALDH1A1GAALMNAKDM4E
SCHEMBL3753917 0.83 CRHR1 (0.64) CRHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL3752694 0.81 CRHR1 (0.52) CRHR1ALDH1A1GAALMNAKDM4E
SCHEMBL3753402 0.81 CRHR1 (0.51) CRHR1ALDH1A1GAALMNAKDM4E
SCHEMBL3669846 0.80 CRHR1 (0.62) CRHR1TLR8
SCHEMBL3673919 0.80 CRHR1 (0.70) CRHR1TLR8
SCHEMBL3666714 0.79 CRHR1 (0.67) CRHR1TLR8
SCHEMBL3730831 0.78 CRHR1 (0.67) CRHR1TLR8

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-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP claimed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO claimed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed