SCHEMBL5328554

SCHEMBL5328554

O=C1C2CC(O)C(OP(=O)(O)O)CC2C(=O)N1CCCN1CCN(c2ccccc2OC2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.47
HTR7 P34969 3/20 0.47
DRD2 P14416 3/20 0.47
HTR2A P28223 2/20 0.47
HTR6 P50406 1/20 0.47
DRD3 P35462 1/20 0.43

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
Phosphoric Acid SCHEMBL5328539 0.91 HTR1A (0.52) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL5333200 0.91 HTR1A (0.46) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL5329995 0.90 HTR1A (0.41) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL4525015 0.90 HTR1A (0.55) HTR1AHTR7DRD2HTR2AHTR6
Hydrochloric Acid SCHEMBL4527605 0.89 HTR1A (0.54) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL5327372 0.88 HTR1A (0.48) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL5328358 0.88 RAB9A (0.43) HTR1AHTR7DRD2HTR2AHTR6
Phosphoric Acid SCHEMBL5325027 0.87 HTR1A (0.47) HTR1AHTR7DRD2HTR2AHTR6
Phosphoric Acid SCHEMBL5327365 0.86 HTR1A (0.49) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL4527313 0.85 HTR1A (0.49) HTR1AHTR7DRD2HTR2AHTR6

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