SCHEMBL4605643

SCHEMBL4605643

O=C(NC1CC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Br)s2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.48
CNR2 P34972 12/20 0.48
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4606276 0.87 CNR1 (0.46) CNR1CNR2
SCHEMBL4607320 0.85 CNR1 (0.48) CNR1CNR2NPC1RAB9A
SCHEMBL4606769 0.85 CNR2 (0.46) CNR1CNR2NPC1RAB9A
SCHEMBL4606992 0.85 CNR1 (0.45) CNR1CNR2
SCHEMBL4606543 0.85 CNR1 (0.59) CNR1CNR2
SCHEMBL8463173 0.85 CNR1 (0.54) CNR1CNR2
SCHEMBL8469772 0.85 CNR1 (0.56) CNR1CNR2
SCHEMBL2015892 0.83 CNR1 (0.67) CNR1CNR2
SCHEMBL5593797 0.83 CNR1 (0.44) CNR1CNR2
Iodide SCHEMBL5163303 0.82 CNR1 (0.43) 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 10 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 claimed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP claimed
EP-1743894-A1 Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP claimed
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
WO-2007009690-A1 HETEROCYCLYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2007-01-25 WO 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