SCHEMBL4607499

SCHEMBL4607499

O=C(C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)s2)C1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.46
CNR1 P21554 9/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALPL P05186 3/20 0.38
AKR1C3 P42330 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4606010 0.89 KDM4E (0.43) CNR2CNR1ALDH1A1HPGD
SCHEMBL4604890 0.86 CNR1 (0.47) CNR2CNR1AKR1C3
SCHEMBL4607493 0.86 CNR1 (0.47) CNR2CNR1AKR1C3HTT
SCHEMBL4606627 0.85 CNR1 (0.62) CNR2CNR1
SCHEMBL4607369 0.84 CNR1 (0.61) CNR2CNR1
SCHEMBL4605740 0.84 CNR1 (0.61) CNR2CNR1
SCHEMBL4608013 0.84 CNR1 (0.44) CNR2CNR1ALDH1A1HPGDNPC1
SCHEMBL2288238 0.83 CNR1 (0.61) CNR2CNR1HPGDNPC1RAB9A
SCHEMBL4607380 0.83 CNR1 (0.61) CNR2CNR1HPGDNPC1RAB9A
SCHEMBL2018135 0.83 CNR1 (0.61) CNR2CNR1HPGDNPC1RAB9A

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