SCHEMBL5330901

SCHEMBL5330901

CC(C)Oc1ccc(F)cc1N1CCN(CC(=O)CN2C(=O)C3CC(O)C(OP(=O)(O)O)CC3C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 14/20 0.41
ADRA1D P25100 13/20 0.41
ADRA1B P35368 8/20 0.41
DRD2 P14416 2/20 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 SCHEMBL5330883 0.93 ADRA1D (0.43) ADRA1AADRA1DADRA1BDRD2
SCHEMBL4535917 0.91 ADRA1D (0.45) ADRA1AADRA1DADRA1BDRD2
Hydrochloric Acid SCHEMBL4535527 0.90 ADRA1D (0.44) ADRA1AADRA1DADRA1BDRD2
SCHEMBL5331895 0.88 HTR1A (0.42) ADRA1AADRA1DADRA1BDRD2
SCHEMBL5327011 0.88 ADRA1D (0.42) ADRA1AADRA1DADRA1BDRD2
Succinic Acid SCHEMBL5328590 0.87 ADRA1D (0.42) ADRA1AADRA1DADRA1B
SCHEMBL5329692 0.87 MEN1 (0.35) ADRA1AADRA1DADRA1BDRD2
Fumaric Acid SCHEMBL5325185 0.86 ADRA1D (0.42) ADRA1AADRA1DADRA1BDRD2
Cadaverine Tartrate SCHEMBL5327784 0.86 ADRA1D (0.42) ADRA1AADRA1DADRA1BDRD2
Maleic Acid SCHEMBL5325181 0.86 ADRA1D (0.42) ADRA1AADRA1DADRA1BDRD2

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