SCHEMBL20142916

SCHEMBL20142916

CN1CCC(N2N=C(c3ccc(Br)cc3)CC(C)(C)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CHRNA7 P36544 1/20 0.36
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL20138995 0.91 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL20142942 0.89 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL20159509 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL20138879 0.85 PDE4A (0.42) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL20142933 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL20142960 0.77 SMN1; SMN2 (0.41) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL20159203 0.76 PDE4D (0.44) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL20159737 0.75 RAB9A (0.36) CHRNA7HTR2BSMN1; SMN2NPC1RAB9A
SCHEMBL20138970 0.73 FPR1 (0.37) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL20159107 0.73 PDE4A (0.42) PDE4BPDE4APDE4CPDE4DBACE1

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-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed