SCHEMBL6622293

SCHEMBL6622293

COc1ccc(CCN2CCN(c3ccc(Cl)c(C)c3)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1B P35368 3/20 0.48
SIGMAR1 Q99720 9/20 0.48
TMEM97 Q5BJF2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
EBP Q15125 2/20 0.46
DRD2 P14416 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD4 P21917 1/20 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
SCHEMBL5183866 0.93 SIGMAR1 (0.54) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL6623960 0.93 ADRA1D (0.54) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL5182997 0.88 ADRA1D (0.61) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL5183532 0.87 ADRA1D (0.44) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL5183582 0.84 SIGMAR1 (0.54) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL5183557 0.83 SIGMAR1 (0.56) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL2767412 0.83 MAPT (0.63) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL5183909 0.83 LMNA (0.51) ADRA1ASIGMAR1DRD2HTR1AHTR2A
SCHEMBL5182166 0.81 SIGMAR1 (0.53) ADRA1AADRA1DADRA1BSIGMAR1TMEM97
SCHEMBL5183284 0.81 SIGMAR1 (0.47) ADRA1AADRA1DADRA1BSIGMAR1TMEM97

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 4 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-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