SCHEMBL4783780

SCHEMBL4783780

Cc1ccccc1-c1ccc2[nH]nc(C(=O)N3CCN(CC(=O)c4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.59
HTR2C P28335 9/20 0.57
GSK3B P49841 2/20 0.48
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
KCNH2 Q12809 2/20 0.48
DYRK1A Q13627 1/20 0.44

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
SCHEMBL4781894 0.93 HTR2A (0.59) HTR2AHTR2CABL1BCRKCNH2
SCHEMBL4783248 0.85 HTR2A (0.67) HTR2AHTR2CABL1BCRKCNH2
SCHEMBL4784431 0.85 HTR2A (0.66) HTR2AHTR2CABL1BCRKCNH2
SCHEMBL4781280 0.83 HTR2A (0.66) HTR2AHTR2CKCNH2
SCHEMBL4782015 0.81 HTR2A (0.61) HTR2AHTR2CABL1BCRKCNH2
SCHEMBL4732167 0.81 HTR2A (0.65) HTR2AHTR2CGSK3BABL1BCR
SCHEMBL14205208 0.81 HTR2A (0.61) HTR2AHTR2CGSK3BKCNH2
SCHEMBL4782575 0.80 HTR2A (0.65) HTR2AHTR2CABL1BCRKCNH2
SCHEMBL4794769 0.80 HTR2A (0.67) HTR2AHTR2CABL1BCRKCNH2
SCHEMBL4781852 0.79 HTR2A (0.66) HTR2AHTR2CABL1BCRKCNH2

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