Laselipag

Laselipag

SCHEMBL1259149

[2H]C([2H])([2H])C([2H])(N(CCCCOC[13C](=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C([2H])([2H])[2H]

nearest known ligand 0.78

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.78
NR1I2 O75469 2/20 0.78
ADORA3 P0DMS8 2/20 0.78
TBXA2R P21731 2/20 0.78
AGTR1 P30556 2/20 0.78
PDE4D Q08499 2/20 0.78
PTGDR Q13258 2/20 0.78
DRD1 P21728 1/20 0.78
CKS1B P61024 7/20 0.61
SKP1 P63208 7/20 0.61
SKP2 Q13309 7/20 0.61
CNR1 P21554 4/20 0.61
ABCB11 O95342 1/20 0.61
HTR1A P08908 1/20 0.61
HTR2A P28223 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRD1 P41143 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
SCN5A Q14524 1/20 0.61

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
Laselipag SCHEMBL1259176 1.00 PTGIR (0.78) PTGIRNR1I2ADORA3TBXA2RAGTR1
Laselipag SCHEMBL14477532 0.97 PTGIR (0.80) PTGIRNR1I2ADORA3TBXA2RAGTR1
Laselipag SCHEMBL29355314 0.88 NR1I2 (1.00) PTGIRNR1I2ADORA3TBXA2RAGTR1
Laselipag SCHEMBL26906440 0.88 NR1I2 (1.00) PTGIRNR1I2ADORA3TBXA2RAGTR1
Laselipag SCHEMBL676234 0.88 NR1I2 (1.00) PTGIRNR1I2ADORA3TBXA2RAGTR1
Selexipag SCHEMBL1258587 0.87 CKS1B (0.82) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL19820818 0.87 NR1I2 (0.98) PTGIRNR1I2ADORA3TBXA2RAGTR1
Laselipag SCHEMBL30605680 0.87 NR1I2 (0.98) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL14477528 0.86 NR1I2 (0.64) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL26338453 0.86 NR1I2 (0.81) PTGIRNR1I2ADORA3TBXA2RAGTR1

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-2011017612-A1 SUBSTITUTED DIPHENYLPYRAZINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed