SCHEMBL2649129

SCHEMBL2649129

Cc1cc(N2CCNCC2)c(C)cc1C=O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
HTR3A P46098 6/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
ADRB1 P08588 3/20 0.46
ALDH1A3 P47895 2/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 5/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39

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
SCHEMBL2366486 0.80 ADRB1 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2649131 0.75 ADRB1 (0.42) ALDH1A1SMN1; SMN2HTR3AHTR3EHTR3B
SCHEMBL28621356 0.75 HTR1A (0.51) HTR3AADRB1HTR7HTR1A
SCHEMBL2649516 0.73 ADRB1 (0.51) ALDH1A1SMN1; SMN2HTR3AHTR3EHTR3B
SCHEMBL2649642 0.72 HTR1A (0.41) ALDH1A1SMN1; SMN2HTR3AADRB1HTR7
SCHEMBL17884970 0.72 ADRB1 (0.53) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL30609659 0.72 ADRB1 (0.52) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL30609616 0.72 ADRB1 (0.53) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL17884851 0.72 ADRB1 (0.52) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL28572112 0.71 LMNA (0.49) ALDH1A1SMN1; SMN2ADRB1HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed