SCHEMBL14980987

SCHEMBL14980987

CC(=O)c1ccncc1C(=O)N(C)CCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
TGFBR1 P36897 1/20 0.40
PDK1 Q15118 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
MAPT P10636 1/20 0.38
HRH4 Q9H3N8 2/20 0.36
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLR1A O95602 1/20 0.36
ROCK1 Q13464 1/20 0.36
BCHE P06276 1/20 0.35
TACR1 P25103 2/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL17970634 0.94 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14708997 0.85 TDP1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL47674 0.84 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL47654 0.81 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14708996 0.79 TDP1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22415463 0.77 HTT (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28317597 0.76 TDP1 (0.50) MAPTSIRT3TDP1ROCK1ROCK2
SCHEMBL20879984 0.74 HTT (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15477469 0.72 HTT (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20879937 0.72 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512450-B1 DRY GROWTH HORMONE COMPOSITION TRANSIENTLY LINKED TO A POLYMER CARRIER ASCENDIS PHARMA ENDOCRINOLOGY DIV A/S (DK) 2018-02-07 EP disclosed
EP-3050576-A1 PEGYLATED RECOMBINANT HUMAN GROWTH HORMONE COMPOUNDS Ascendis Pharma Growth Disorders Division A/S (DK) 2016-08-03 EP disclosed
EP-2596805-A1 Prodrug comprising a drug linker conjugate Ascendis Pharma A/S (DK) 2013-05-29 EP disclosed