SCHEMBL5183896

SCHEMBL5183896

COc1ccc(CCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.52
▸ PRKAB2 O43741 4/20 0.50
▸ PRKAG1 P54619 4/20 0.50
▸ PRKAA2 P54646 4/20 0.50
▸ PRKAA1 Q13131 4/20 0.50
▸ PRKAG3 Q9UGI9 4/20 0.50
▸ PRKAG2 Q9UGJ0 4/20 0.50
▸ PRKAB1 Q9Y478 4/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ DRD3 P35462 3/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ EPHX2 P34913 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
SCHEMBL6624933 0.86 DRD2 (0.56) LDHAALDH1A1HTTDRD3KMT2A
SCHEMBL5244436 0.86 LDHA (0.47) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5244142 0.86 LDHA (0.51) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5244348 0.86 LDHA (0.49) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5240305 0.85 LDHA (0.51) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5239926 0.84 LDHA (0.50) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5241918 0.84 LDHA (0.50) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5243800 0.83 LDHA (0.49) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5240739 0.83 LDHA (0.49) LDHAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5242749 0.83 LDHA (0.49) LDHAPRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 — — EP claimed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 — — WO claimed
EP-1729762-A4 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORP (US) 2007-12-19 — — EP disclosed
EP-1729762-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2006-12-13 — — EP disclosed
WO-2005094305-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2005-10-13 — — WO disclosed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 — — EP disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 — — WO disclosed
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