SCHEMBL6651379

SCHEMBL6651379

COc1ccnc(N2CCN(C(C)=O)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.53
HCRTR1 O43613 10/20 0.50
HCRTR2 O43614 10/20 0.50
KDR P35968 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OGA O60502 1/20 0.46
SMO Q99835 1/20 0.46

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
SCHEMBL6651413 0.84 TP53 (0.50) HCRTR1HCRTR2
SCHEMBL6652771 0.84 ALDH1A1 (0.57) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL6653359 0.83 ALDH1A1 (0.56) HCRTR1HCRTR2
SCHEMBL6655484 0.83 SLC6A7 (0.62) HCRTR1HCRTR2
SCHEMBL6652784 0.81 HCRTR1 (0.55) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL6653362 0.81 ALDH1A1 (0.54) HCRTR1HCRTR2
SCHEMBL6652211 0.81 SLC6A7 (0.62) MEN1KMT2A
SCHEMBL6674771 0.81 L3MBTL1 (0.59) HCRTR1HCRTR2
SCHEMBL6652154 0.81 L3MBTL1 (0.67) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL28019839 0.80 OGA (0.51) ACHEOGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1202087-C Derivatives of acyl-piperazinil-pyrimidins, preparation thereof and application as medicaments ESTEVE LABOR DR (ES) 2005-05-18 CN claimed
EP-1006110-B1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2004-02-11 EP claimed
US-6372746-B1 ANTICONVULSIVE AGENTS, SEDATIVES AND EATING DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-04-16 US claimed
CN-1268124-A Acyl-piperazinyl-pyrimidine derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2000-09-27 CN claimed
EP-1006110-A1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-06-07 EP claimed