SCHEMBL5322624

SCHEMBL5322624

CCN(CC)C(=O)CC1CNc2ccc(N)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
TNF P01375 1/20 0.33
HSD17B10 Q99714 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 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
SCHEMBL16175447 0.74 CHRNB2 (0.36) F2F10PRSS1
Hydrochloric Acid SCHEMBL7509696 0.69 TBXA2R (0.42) MEN1GAAKMT2ASMN1; SMN2F2
SCHEMBL5178587 0.69 CHRNB2 (0.37) MEN1GAAKMT2ASMN1; SMN2F2
SCHEMBL6601842 0.68 EGFR (0.36) MEN1KMT2AALDH1A1
SCHEMBL21808887 0.68 KMT2A (0.43) MEN1GAAKMT2ASMN1; SMN2HSD17B10
SCHEMBL21808880 0.67 CYP1A2 (0.46) MEN1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL21808886 0.67 MEN1 (0.47) MEN1GAAKMT2ASMN1; SMN2HSD17B10
SCHEMBL27718829 0.67 LMNA (0.38) MEN1KMT2AHSD17B10ALDH1A1MAPK1
SCHEMBL12369307 0.66 CHRNB2 (0.37) KMT2AF2F10PRSS1
SCHEMBL21808881 0.66 KMT2A (0.43) KMT2ASMN1; SMN2OPRM1ALDH1A1MAPK1

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
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 WO disclosed