SCHEMBL6623960

SCHEMBL6623960

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54
SIGMAR1 Q99720 4/20 0.51
EBP Q15125 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EBPL Q9BY08 1/20 0.47

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
SCHEMBL5182997 0.95 ADRA1D (0.61) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL6622293 0.93 ADRA1A (0.48) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL2767412 0.90 MAPT (0.63) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL5183866 0.85 SIGMAR1 (0.54) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL5183532 0.84 ADRA1D (0.44) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL6625036 0.83 LMNA (0.55) ADRA1ASIGMAR1SMN1; SMN2HTR1AMAPT
SCHEMBL5183582 0.80 SIGMAR1 (0.54) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL5182203 0.80 SIGMAR1 (0.61) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL5184289 0.80 LMNA (0.42) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL5183557 0.80 SIGMAR1 (0.56) ADRA1DADRA1AADRA1BSIGMAR1EBP

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