SCHEMBL4683545

SCHEMBL4683545

CC(Cc1ccc(C2=NC(C)(C)CO2)cc1)CN1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
CYP2D6 P10635 2/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KDM4E B2RXH2 1/20 0.36
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 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
SCHEMBL7877351 0.73 HRH3 (0.52) HRH3CYP2D6KDM4ELMNAMAPT
SCHEMBL10605013 0.71 SIGMAR1 (0.60) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6249126 0.70 HRH3 (0.57) HRH3CYP2D6KDM4EALDH1A1LMNA
SCHEMBL4229239 0.70 HRH3 (0.44) HRH3CYP2D6KDM4EALDH1A1LMNA
SCHEMBL471858 0.69 KDM4E (0.60) HRH3CYP2D6KDM4EALDH1A1LMNA
SCHEMBL7009247 0.69 HRH3 (0.56) HRH3CYP2D6KDM4EALDH1A1LMNA
SCHEMBL668560 0.68 HRH3 (0.58) HRH3CYP2D6KDM4EALDH1A1LMNA
SCHEMBL8958637 0.67 HRH3 (0.57) HRH3CYP2D6KDM4EALDH1A1LMNA
SCHEMBL18715834 0.67 MEN1 (0.48) HRH3SIGMAR1MEN1KMT2ADRD3
SCHEMBL8116743 0.66 HRH3 (0.56) HRH3CYP2D6KDM4ELMNAMAPT

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed