SCHEMBL4456681

SCHEMBL4456681

COCCc1ccc(OCC(CNC(C)C)OC(=O)C(O)C(O)C(=O)OC(CNC(C)C)COc2ccc(CCOC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.67
NPY2R P49146 1/20 0.67
PMP22 Q01453 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ADRB1 P08588 3/20 0.67
ADRB2 P07550 2/20 0.67
CYP2D6 P10635 2/20 0.67
NR3C1 P04150 1/20 0.67
ADRA1A P35348 1/20 0.67
CYP2J2 P51589 1/20 0.67
PDE4D Q08499 1/20 0.67
ABCB1 P08183 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7286484 0.96 NPY1R (0.75) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL20887451 0.89 ADRB1 (0.61) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL8892157 0.88 ADRB1 (0.66) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL2473791 0.87 ADRB1 (0.65) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL11320142 0.86 ADRB1 (0.63) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL9799095 0.86 NPY1R (0.59) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL18613405 0.82 ADRB1 (0.55) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL6694785 0.82 NPY1R (0.57) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL2405912 0.81 TDP1 (0.83) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL8746468 0.81 ADRB1 (0.56) NPY1RNPY2RPMP22NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023643-A1 Methods For Treating Acute Myocardial Infarction By Administering Calcitonin Gene Related Peptide And Compositions Containing The Same VASOGENIX PHARMACEUTICALS, INC. (US) 2009-01-22 US disclosed
EP-1703916-A2 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTION BY CALCITONIN GENE RELATED PEPTIDE AND COMPOSITIONS CONTAINING THE SAME Vasogenix Pharmaceuticals, Inc. (US) 2006-09-27 EP disclosed
WO-2005070445-A2 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTION BY CALCITONIN GENE RELATED PEPTIDE AND COMPOSITIONS CONTAINING THE SAME VASOGENIX PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
US-20040091528-A1 Soluble drug extended release system YAMANOUCHI PHARMA TECHNOLOGIES, INC. 2004-05-13 US disclosed
US-4303637-A Medication indicated for ocular hypertension ALZA CORPORATION (US) 1981-12-01 US disclosed
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed