SCHEMBL29239791

SCHEMBL29239791

CCOC(=O)C1(NCCN(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DNM1 Q05193 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC22A1 O15245 2/20 0.32
OPRM1 P35372 3/20 0.31

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
SCHEMBL29239790 0.90 DNM1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ADNM1
SCHEMBL10434741 0.81 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AMGAM
SCHEMBL20569336 0.80 FPR3 (0.37)
SCHEMBL1508731 0.78 MGAM (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AMGAM
SCHEMBL22980572 0.75 CYP1A2 (0.44) MGAMGAASIMGAM2
SCHEMBL13123496 0.75 MGAM (0.37) SMN1; SMN2ALDH1A1MEN1KMT2AMGAM
SCHEMBL9781822 0.74 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2AMGAM
SCHEMBL2787784 0.72 MGAM (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AMGAM
SCHEMBL8640882 0.71 TSHR (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AMGAM
Hydrochloric Acid SCHEMBL2787783 0.71 MGAM (0.39) SMN1; SMN2ALDH1A1MGAMGAASI

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
CN-114591319-B Tetrahydropyridopyrimidine derivative and application thereof 江苏先声药业有限公司 2024-06-28 CN disclosed
CN-114591319-A Tetrahydropyridopyrimidine derivative and application thereof 江苏先声药业有限公司 2022-06-07 CN disclosed