SCHEMBL4755276

SCHEMBL4755276

C#CC1CCN(C(=O)C(C)(C)N)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
HRH3 Q9Y5N1 2/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL18525099 0.82 HRH3 (0.35) HRH3LMNACYP2D6KCNH2SMN1; SMN2
SCHEMBL18525070 0.78 EPHX1 (0.42) DPP4HRH3
SCHEMBL2745873 0.78 GAA (0.51) DPP4LMNASMN1; SMN2GAAHSD17B10
SCHEMBL5606073 0.78 LMNA (0.56) DPP4LMNASMN1; SMN2HPGDGAA
SCHEMBL19502780 0.77 DPP4 (0.43) DPP4HRH3LMNACYP2D6KCNH2
SCHEMBL15841239 0.77 ALDH1A1 (0.47) DPP4LMNASMN1; SMN2HPGDGAA
SCHEMBL2745757 0.77 DPP4 (0.43) DPP4LMNATLR9TLR8TLR7
SCHEMBL3764738 0.75 EPHX2 (0.43) SMN1; SMN2
SCHEMBL2746438 0.74 SMN1; SMN2 (0.44) DPP4LMNASMN1; SMN2HPGDGAA
SCHEMBL2746501 0.74 LMNA (0.40) DPP4HRH3LMNASMN1; SMN2HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed