SCHEMBL4606010

SCHEMBL4606010

O=C(C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)s2)C1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 6/20 0.37
POLB P06746 1/20 0.36
SLC6A4 P31645 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
TACR1 P25103 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
SCHEMBL4607499 0.89 CNR2 (0.46) ALDH1A1CNR1CNR2HPGD
SCHEMBL2020333 0.86 CNR1 (0.55) KDM4EALDH1A1L3MBTL1CNR1CNR2
SCHEMBL8472367 0.84 CNR1 (0.50) KDM4EALDH1A1L3MBTL1CNR1CNR2
SCHEMBL4607320 0.81 CNR1 (0.48) CNR1CNR2
SCHEMBL4607069 0.80 CNR1 (0.41) CNR1CNR2
SCHEMBL4607493 0.80 CNR1 (0.47) CNR1CNR2
SCHEMBL4604890 0.80 CNR1 (0.47) CNR1CNR2
SCHEMBL2020125 0.79 CNR2 (0.55) KDM4EALDH1A1L3MBTL1CNR1CNR2
SCHEMBL4605740 0.78 CNR1 (0.61) CNR1CNR2
SCHEMBL4607369 0.78 CNR1 (0.61) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1743894-A1 Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1743894-A1 Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed