SCHEMBL299646

SCHEMBL299646

O=C1Nc2ccccc2C2(CCCCC2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 18/20 1.00
PDE7B Q9NP56 2/20 0.58
AKR1B1 P15121 1/20 0.51
PDE5A O76074 1/20 0.50
PDE4A P27815 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE1C Q14123 1/20 0.50

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
SCHEMBL29793337 1.00 PDE7A (1.00) PDE7APDE7BAKR1B1PDE5APDE4A
SCHEMBL31285823 0.84 PDE7A (0.73) PDE7APDE7BAKR1B1
SCHEMBL1743736 0.84 PDE7A (0.73) PDE7APDE7BAKR1B1
Hydrochloric Acid SCHEMBL3883238 0.83 PDE7A (0.71) PDE7APDE7BAKR1B1
SCHEMBL13880277 0.80 PDE7A (0.67) PDE7AAKR1B1
SCHEMBL13068678 0.80 PDE7A (0.67) PDE7APDE7BAKR1B1
SCHEMBL9912018 0.80 PDE7A (0.67) PDE7AAKR1B1PDE1APDE1BPDE4D
SCHEMBL8218955 0.80 PDE7A (0.65) PDE7A
SCHEMBL13314947 0.80 PDE7A (0.65) PDE7A
SCHEMBL18490908 0.78 PDE7A (0.64) PDE7APDE7BAKR1B1

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
EP-2846805-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2015-03-18 EP disclosed
WO-2013176877-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2013-11-28 WO disclosed
EP-2640395-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2013-09-25 EP disclosed
WO-2012064667-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2012-05-18 WO disclosed
EP-2427193-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS Omeros Corporation (US) 2012-03-14 EP disclosed
WO-2010129036-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-11-11 WO disclosed