SCHEMBL4780094

SCHEMBL4780094

Cn1nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c2ccc(Br)cc21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.67
HTR2C P28335 11/20 0.67
KCNH2 Q12809 2/20 0.63
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4783355 0.87 HTR2A (0.60) HTR2AHTR2CKCNH2
SCHEMBL4784011 0.86 HTR2A (0.66) HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL4780999 0.86 HTR2A (0.59) HTR2AHTR2CKCNH2
SCHEMBL4783828 0.85 HTR2A (0.62) HTR2AHTR2CKCNH2
SCHEMBL14205205 0.83 HTR2A (0.60) HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL4784178 0.81 HTR2A (0.66) HTR2AHTR2CKCNH2
SCHEMBL3143430 0.81 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL4731508 0.80 HTR2A (0.65) HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL4732167 0.78 HTR2A (0.65) HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL3139406 0.77 HTR2A (1.00) HTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed