SCHEMBL7994177

SCHEMBL7994177

Cc1cccc2[nH]cc(CCC(N)OC(=O)/C=C/C(=O)OC(N)CCc3c[nH]c4cccc(C)c34)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.48
HTR2A P28223 6/20 0.43
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2C P28335 3/20 0.39
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR1A P08908 2/20 0.36
HTR2B P41595 2/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1E P28566 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR5A P47898 1/20 0.36

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
SCHEMBL7998078 0.86 GPR84 (0.48) GPR84HTR2AMTNR1AMTNR1BHTR2C
SCHEMBL7997361 0.86 HTR2A (0.41) HTR2AMTNR1AMTNR1BHTR2CGAA
SCHEMBL7983657 0.80 GPR84 (0.49) GPR84HTR2AHTR2CNPSR1HTR1A
SCHEMBL18837119 0.76 GPR84 (0.63) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL1462665 0.75 GPR84 (0.55) GPR84HTR2AMTNR1AMTNR1BHTR2C
SCHEMBL7994191 0.74 LMNA (0.44) HTR2AMTNR1AMTNR1BGAANPSR1
SCHEMBL25772433 0.73 GPR84 (0.59) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL7997990 0.73 HTR2A (0.57) HTR2AMTNR1AMTNR1BHTR2CGAA
SCHEMBL7995675 0.73 HTR2A (0.57) HTR2AMTNR1AMTNR1BHTR2CGAA
SCHEMBL8001578 0.73 HTR2A (0.57) HTR2AMTNR1AMTNR1BHTR2CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed