SCHEMBL4599741

SCHEMBL4599741

CN(CCN1CC(=O)N2[C@@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O)Cc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.84
PDE6D O43924 4/20 0.84
PDE6A P16499 4/20 0.84
PDE6G P18545 4/20 0.84
PDE6B P35913 4/20 0.84
PDE6C P51160 4/20 0.84
PDE6H Q13956 4/20 0.84
PDE11A Q9HCR9 3/20 0.84
ACHE P22303 4/20 0.71
NR1I2 O75469 1/20 0.71
PDE4A P27815 1/20 0.71
MAPK1 P28482 1/20 0.71
SLC6A4 P31645 1/20 0.71
PDE4B Q07343 1/20 0.71
PDE4C Q08493 1/20 0.71
PDE4D Q08499 1/20 0.71
KCNH2 Q12809 1/20 0.71
NR2E1 Q9Y466 1/20 0.71

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
SCHEMBL4600804 1.00 PDE5A (0.84) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4601357 0.96 PDE5A (0.80) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4601548 0.96 PDE5A (0.80) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7689505 0.88 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7689509 0.88 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7689503 0.88 PDE5A (0.91) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7449046 0.88 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7430389 0.88 PDE5A (0.91) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7689495 0.88 PDE5A (0.91) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6502559 0.87 PDE5A (0.84) PDE5APDE6DPDE6APDE6GPDE6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914235-A1 CHIRAL TETRA-HYDRO BETA-CARBOLINE DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS Universite de Lille 2 Droit et Santé (FR) 2008-04-23 EP disclosed
EP-1914235-A1 CHIRAL TETRA-HYDRO BETA-CARBOLINE DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS Universite de Lille 2 Droit et Santé (FR) 2008-04-23 EP disclosed
WO-2008044144-A2 CHIRAL TETRA-HYDRO BETA-CARBOLIC DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS UNIVERSITE DE LILLE 2, UNIVERSITÉ DU DROIT ET DE LA SANTÉ (FR) 2008-04-17 WO disclosed