SCHEMBL3669351

SCHEMBL3669351

CCCOC(=O)Cc1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(OC)nc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.54
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE2A O00408 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16162068 0.85 CRHR1 (0.61) CRHR1KDM4EALDH1A1LMNAPDE2A
SCHEMBL3753893 0.84 CRHR1 (0.62) CRHR1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3748467 0.80 CRHR1 (0.59) CRHR1KDM4EALDH1A1LMNAPDE2A
SCHEMBL3750699 0.79 CRHR1 (0.60) CRHR1KDM4EALDH1A1LMNATSHR
SCHEMBL16162066 0.78 CRHR1 (0.63) CRHR1KDM4EALDH1A1LMNAPDE2A
SCHEMBL3724782 0.78 CRHR1 (0.68) CRHR1
SCHEMBL3751391 0.77 CRHR1 (0.64) CRHR1KDM4EALDH1A1LMNAPDE2A
SCHEMBL16162117 0.77 CRHR1 (0.62) CRHR1
SCHEMBL3746635 0.77 CRHR1 (0.62) CRHR1KDM4EALDH1A1LMNAMEN1
SCHEMBL3753972 0.77 CRHR1 (0.57) CRHR1KDM4EALDH1A1LMNAMEN1

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 2 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