SCHEMBL8007696

SCHEMBL8007696

CC(O)Cn1ncc2ccc(I)cc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.54
HTR2C P28335 11/20 0.54
HTR2B P41595 8/20 0.54
HTR1A P08908 2/20 0.54
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
HTR1D P28221 1/20 0.54
HTR7 P34969 1/20 0.54
HTR4 Q13639 1/20 0.54
KMO O15229 7/20 0.49
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35

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
SCHEMBL8007544 0.85 HTR2C (0.69) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8009907 0.85 HTR2C (0.69) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4950686 0.83 HTR2A (0.76) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5843607 0.83 HTR2A (0.76) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6280461 0.78 RECQL (0.53) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8012791 0.77 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8013724 0.77 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6741175 0.76 HTR2A (0.46) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31219610 0.76 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8013427 0.76 KMO (0.51) HTR2AHTR2CHTR2BHTR1AADRA2A

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-2000017170-A2 N1-SUBSTITUTED BENZOPYRAZOLES AS INHIBITORS OF 5-HT2 RECEPTORS VERNALIS RESEARCH LIMITED (GB) 2000-03-30 WO disclosed