SCHEMBL6603355

SCHEMBL6603355

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4ccccn4)cc3)CCC2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.51
PDE4B Q07343 7/20 0.51
PDE4A P27815 7/20 0.51
PDE4C Q08493 6/20 0.51
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
AURKB Q96GD4 1/20 0.45
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
CFTR P13569 2/20 0.44
GRM4 Q14833 1/20 0.44

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
SCHEMBL6600966 0.92 PDE4A (0.48) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL6602284 0.92 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL6601572 0.92 NPC1 (0.56) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL6600681 0.91 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL6603616 0.90 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL6600779 0.88 NPC1 (0.49) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL6602010 0.88 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CSMN1; SMN2
SCHEMBL6608236 0.88 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CALDH1A1
Hydrochloric Acid SCHEMBL7649060 0.88 PDE4B (0.51) PDE4DPDE4BPDE4APDE4CSMN1; SMN2
SCHEMBL6603243 0.87 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed