SCHEMBL3721887

SCHEMBL3721887

CCC(CC)c1ccc(Cl)c2c1[N]C(Nc1ccc(Cl)cc1Cl)=N2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
SRC P12931 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PIK3CG P48736 4/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CB P42338 3/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2055964 0.68 CRHR1 (0.70) CRHR1
Ammonia Solution, Strong SCHEMBL6433627 0.67 THRB (0.41) CRHR1LMNASMN1; SMN2GAAMAPK1
SCHEMBL17247748 0.67 TP53 (0.44) CRHR1LMNAMAPK1TP53HTT
SCHEMBL3218068 0.65 CRHR1 (0.53) CRHR1
SCHEMBL6996284 0.62 CRHR1 (0.44) CRHR1
SCHEMBL19976890 0.62 LMNA (0.39) LMNASMN1; SMN2GAAMAPK1TAS1R3
SCHEMBL18593511 0.61 KCNH2 (0.41) CRHR1LMNASMN1; SMN2GAATP53
SCHEMBL11857151 0.60 LMNA (0.48) LMNATP53HTT
SCHEMBL21725453 0.60 LMNA (0.48) LMNATP53HTT
SCHEMBL13620698 0.60 SMN1; SMN2 (0.46) LMNASMN1; SMN2GAAMAPK1SRC

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 disclosed
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 disclosed