SCHEMBL8337982

SCHEMBL8337982

CCNC(=N)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.74
NPSR1 Q6W5P4 3/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RECQL P46063 1/20 0.57
POLB P06746 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
XBP1 P17861 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
PHGDH O43175 1/20 0.52

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
SCHEMBL3712337 0.84 LMNA (0.60) LMNANPSR1SMN1; SMN2RECQLPOLB
SCHEMBL31642475 0.78 POLB (0.73) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL12781894 0.78 POLB (0.73) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL28226906 0.78 ALDH1A1 (0.77) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10790246 0.77 LMNA (0.58) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13536326 0.77 LMNA (0.59) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13923614 0.76 LMNA (0.67) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6926448 0.76 SIGMAR1 (0.64) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL27896818 0.76 LMNA (0.71) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6256297 0.75 LMNA (0.71) LMNANPSR1CYP2D6CYP2C19SMN1; SMN2

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
WO-2004018465-A9 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed