SCHEMBL5328358

SCHEMBL5328358

O=C(CN1CCN(c2ccccc2OC2CCCC2)CC1)CN1C(=O)C2CC(O)C(OP(=O)(O)O)CC2C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR1A P08908 9/20 0.36
HTR7 P34969 3/20 0.36
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC18A3 Q16572 1/20 0.34

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 SCHEMBL5328350 0.92 RAB9A (0.47) RAB9AADRA1DADRA1AADRA1BHTR1A
SCHEMBL5329692 0.91 MEN1 (0.35) RAB9AADRA1DADRA1AADRA1BHTR1A
SCHEMBL4521606 0.90 RAB9A (0.50) RAB9AADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL4526875 0.89 RAB9A (0.49) RAB9AADRA1DADRA1AADRA1BHTR1A
SCHEMBL5328554 0.88 HTR1A (0.47) HTR1AHTR7DRD2HTR2AHTR6
Succinic Acid SCHEMBL5326107 0.85 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
Maleic Acid SCHEMBL5324091 0.85 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
Cadaverine Tartrate SCHEMBL5326825 0.85 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
Fumaric Acid SCHEMBL5324097 0.85 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
Phosphoric Acid SCHEMBL5329669 0.82 MEN1 (0.38) RAB9AHTR1AHTR7DRD2HTR2A

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