SCHEMBL5327372

SCHEMBL5327372

O=C1C2CCC(OP(=O)(O)O)CC2C(=O)N1CCCN1CCN(c2ccccc2OC2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.48
DRD2 P14416 6/20 0.48
HTR2A P28223 4/20 0.48
HTR7 P34969 3/20 0.48
HTR6 P50406 1/20 0.48
DRD3 P35462 2/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5332297 0.90 HTR1A (0.42) HTR1ADRD2HTR2AHTR7HTR6
Phosphoric Acid SCHEMBL5327365 0.90 HTR1A (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5422475 0.90 DRD2 (0.61) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5328554 0.88 HTR1A (0.47) HTR1ADRD2HTR2AHTR7HTR6
Phosphoric Acid SCHEMBL5328539 0.88 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5333200 0.87 HTR1A (0.46) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4522586 0.87 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4517673 0.87 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4525015 0.85 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4527605 0.85 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6

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-2007010504-A2 ACID ADDITION SALTS OF ISOINDOLES ACTING AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 WO disclosed