SCHEMBL5504949

SCHEMBL5504949

NC(=O)N1CCCCC1.O=C(O)C1CCc2cc(F)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CNR1 P21554 2/20 0.40
MLNR O43193 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
KCNE1 P15382 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
NPY1R P25929 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
AVPR2 P30518 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL1735559 0.86 MLNR (0.50) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL29395058 0.86 MLNR (0.50) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL30585650 0.86 MLNR (0.50) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL908153 0.86 MLNR (0.50) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL13925775 0.86 MLNR (0.50) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL1737016 0.86 MLNR (0.50) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL8269287 0.85 HPGD (0.53) HPGDTSHRCNR1MLNRADRB2
Hydrochloric Acid SCHEMBL3905269 0.85 MLNR (0.49) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL26413056 0.81 MLNR (0.50) TSHRCNR1MLNRADRB2ADRB1
SCHEMBL3909221 0.74 MLNR (0.49) TSHRCNR1MLNRADRB2ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737847-A2 NEBIVOLOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITIONS OF NEBIVOLOL Torrent Pharmaceuticals Ltd (IN) 2007-01-03 EP disclosed
WO-2006025070-A2 NEBIVOLOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITIONS OF NEBIVOLOL TORRENT PHARMACEUTICALS LIMITED (IN) 2006-03-09 WO disclosed