SCHEMBL5183284

SCHEMBL5183284

COc1ccc(CCN2CCN(c3ccc(Cl)c(OC)c3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.47
TMEM97 Q5BJF2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
EBP Q15125 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL6625806 0.91 DRD2 (0.53) SIGMAR1TMEM97CYP1A2CYP2D6ADRA1D
SCHEMBL5183582 0.91 SIGMAR1 (0.54) SIGMAR1TMEM97CYP1A2CYP2D6ADRA1D
SCHEMBL5183557 0.90 SIGMAR1 (0.56) SIGMAR1TMEM97CYP1A2CYP2D6ADRA1D
SCHEMBL6624881 0.86 MAPK1 (0.47) SIGMAR1TMEM97ADRA1DADRA1AADRA1B
SCHEMBL5182166 0.86 SIGMAR1 (0.53) SIGMAR1TMEM97CYP1A2CYP2D6ADRA1D
SCHEMBL5242704 0.83 DRD2 (0.53) SIGMAR1TMEM97ADRA1DADRA1AADRA1B
SCHEMBL5182433 0.82 DRD2 (0.56) SIGMAR1TMEM97ADRA1DADRA1AADRA1B
SCHEMBL5183526 0.82 HSD17B10 (0.45) SIGMAR1TMEM97CYP1A2CYP2D6ADRA1D
SCHEMBL5241546 0.82 DRD2 (0.52) SIGMAR1TMEM97ADRA1DADRA1AADRA1B
SCHEMBL2768860 0.81 ADRA1D (0.61) SIGMAR1TMEM97ADRA1DADRA1AADRA1B

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