SCHEMBL6652874

SCHEMBL6652874

O=C(c1cccnc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.72
SLC6A7 Q99884 2/20 0.69
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ADRB1 P08588 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD11B1 P28845 1/20 0.48

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
Hydrochloric Acid SCHEMBL6652141 0.99 PKM (0.71) PKMSLC6A7POLBMEN1MAPT
Hypochlorous Acid SCHEMBL6652143 0.98 PKM (0.70) PKMSLC6A7POLBMEN1MAPT
SCHEMBL8356355 0.88 PKM (0.91) PKMSLC6A7KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13149233 0.83 KDM4E (0.71) PKMSLC6A7POLBMEN1MAPT
SCHEMBL30165123 0.82 SLC6A7 (0.60) PKMSLC6A7POLBMEN1MAPT
SCHEMBL3582132 0.82 SLC6A7 (1.00) PKMSLC6A7POLBMEN1KMT2A
SCHEMBL6651764 0.80 ALDH1A1 (0.59) SLC6A7POLBMEN1MAPTKMT2A
SCHEMBL5232026 0.79 SLC6A7 (0.68) PKMSLC6A7MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6656739 0.79 ALDH1A1 (0.58) SLC6A7POLBMEN1MAPTKMT2A
SCHEMBL6650793 0.78 ALDH1A1 (0.71) PKMSLC6A7MAPTKDM4ESMN1; SMN2

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