SCHEMBL5776597

SCHEMBL5776597

COC(=O)Oc1cnn2c(N[C@H](C)C(C)C)c(C3CCCC3)c(Cl)nc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.32

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
SCHEMBL4490087 0.85 HTR2C (0.47) HTR2C
SCHEMBL4506359 0.85 HTR2C (0.47) HTR2C
SCHEMBL5775062 0.84 HTR2C (0.35) HTR2C
SCHEMBL13606374 0.84 ALDH1A1 (0.40) HTR2C
SCHEMBL4499873 0.84 ALDH1A1 (0.40) HTR2C
SCHEMBL13606379 0.84 ALDH1A1 (0.40) HTR2C
SCHEMBL5774361 0.75 CDK4 (0.32) HTR2C
SCHEMBL13606380 0.74 HTR2C (0.42) HTR2C
SCHEMBL13606372 0.73 HTR2C (0.45) HTR2C
SCHEMBL13606382 0.72 ALDH1A1 (0.35) HTR2C

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
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed