SCHEMBL7997830

SCHEMBL7997830

NC(CCc1c[nH]c2ccc(Br)cc12)OC(=O)/C=C/C(=O)OC(N)CCc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
GPR84 Q9NQS5 1/20 0.48
HTR1A P08908 6/20 0.46
SLC6A4 P31645 4/20 0.46
HTR7 P34969 4/20 0.46
HTR1B P28222 3/20 0.46
HTR2C P28335 3/20 0.46
HTR5A P47898 3/20 0.46
HTR6 P50406 3/20 0.46
ADRA2A P08913 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR1E P28566 2/20 0.46
HTR1D P28221 2/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46

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
SCHEMBL7993961 0.86 HTR2A (0.53) HTR2ATRPM8MTNR1AMTNR1BGPR84
SCHEMBL8001659 0.86 MPO (0.62) HTR2ATRPM8MTNR1AMTNR1BHTR1A
SCHEMBL7983652 0.81 SLC6A4 (0.41) HTR2ATRPM8MTNR1AMTNR1BGPR84
SCHEMBL7843940 0.79 CHRNB2 (0.43) HTR2AHTR1ASLC6A4HTR7HTR1B
SCHEMBL8001578 0.77 HTR2A (0.57) HTR2ATRPM8MTNR1AMTNR1BHTR1A
SCHEMBL7995675 0.77 HTR2A (0.57) HTR2ATRPM8MTNR1AMTNR1BHTR1A
SCHEMBL7997990 0.77 HTR2A (0.57) HTR2ATRPM8MTNR1AMTNR1BHTR1A
SCHEMBL7997361 0.77 HTR2A (0.41) HTR2AMTNR1AMTNR1BHTR2CTDP1
SCHEMBL7998303 0.76 HTR1D (0.47) HTR2AMTNR1AMTNR1BHTR1AHTR1B
SCHEMBL7984083 0.76 HTR2B (0.52) HTR2ATRPM8MTNR1AMTNR1BHTR1A

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