SCHEMBL5329692

SCHEMBL5329692

O=C(CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1)CN1C(=O)C2CC(O)C(OP(=O)(O)O)CC2C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.34
HTR1A P08908 3/20 0.32
HTR7 P34969 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
GPR6 P46095 5/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
TSHR P16473 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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 SCHEMBL5329669 0.92 MEN1 (0.38) MEN1KMT2ARAB9AHTR1AHTR7
SCHEMBL5328358 0.91 RAB9A (0.43) RAB9AHTR1AHTR7ALDH1A1DRD2
SCHEMBL4535333 0.90 MEN1 (0.40) MEN1KMT2ARAB9AHTR1AHTR7
Hydrochloric Acid SCHEMBL4526384 0.90 MEN1 (0.39) MEN1KMT2ARAB9AHTR1AHTR7
SCHEMBL5329995 0.88 HTR1A (0.41) HTR1AHTR7DRD2ADRA1DADRA1A
SCHEMBL5332308 0.87 HTR1A (0.36) HTR1AHTR7DRD2
SCHEMBL5330901 0.87 ADRA1A (0.41) DRD2ADRA1DADRA1AADRA1B
Succinic Acid SCHEMBL5330872 0.86 MEN1 (0.37) MEN1KMT2ARAB9AHTR1AHTR7
Fumaric Acid SCHEMBL5326133 0.86 MEN1 (0.36) MEN1KMT2ARAB9AHTR1AHTR7
Cadaverine Tartrate SCHEMBL5328277 0.86 MEN1 (0.36) MEN1KMT2ARAB9AHTR1AHTR7

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