SCHEMBL8007544

SCHEMBL8007544

C[C@H](N)Cn1ncc2ccc(I)cc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.69
HTR2A P28223 17/20 0.69
HTR2B P41595 8/20 0.69
HTR1A P08908 2/20 0.69
ADRA2A P08913 2/20 0.69
ADRA2B P18089 2/20 0.69
ADRA2C P18825 2/20 0.69
HTR1D P28221 1/20 0.69
HTR7 P34969 1/20 0.69
HTR4 Q13639 1/20 0.69
KMO O15229 2/20 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
SCHEMBL8009907 1.00 HTR2C (0.69) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL8007696 0.85 HTR2A (0.54) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL10252671 0.83 HTR2A (0.71) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL6088764 0.82 HTR2A (1.00) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4779282 0.82 HTR2A (1.00) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL31079586 0.82 HTR2A (1.00) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL475894 0.82 HTR2A (1.00) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL10199642 0.81 HTR2A (0.68) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL905933 0.81 HTR2A (0.68) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL31079387 0.79 HTR2C (1.00) HTR2CHTR2AHTR2BHTR1AADRA2A

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