SCHEMBL6602147

SCHEMBL6602147

COc1ccc(C2=NN(C(=O)Cc3cccc(NC(=O)c4cccnc4)c3)CCC2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE4A P27815 12/20 0.45
PDE4B Q07343 7/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
ACKR3 P25106 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL6601874 0.93 ABCG2 (0.47) PDE5APDE1APDE1BPDE1CPDE4A
SCHEMBL6600756 0.93 PDE4B (0.49) PDE4BACKR3SMN1; SMN2TSHRALDH1A1
SCHEMBL6602470 0.89 PDE4B (0.44) PDE4BACKR3SMN1; SMN2TSHRALDH1A1
SCHEMBL145758 0.89 PDE5A (0.49) PDE5APDE1APDE1BPDE1CPDE4A
SCHEMBL145065 0.86 PDE4A (0.51) PDE5APDE1APDE1BPDE1CPDE4A
SCHEMBL6601945 0.85 ABCG2 (0.53) PDE4BSMN1; SMN2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL7646226 0.85 PDE4D (0.50) PDE5APDE1APDE1BPDE1CPDE4A
Hydrochloric Acid SCHEMBL7650717 0.85 ABCG2 (0.53) PDE4BSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL6272663 0.83 PDE4A (0.48) PDE5APDE1APDE1BPDE1CPDE4A
SCHEMBL6602631 0.82 ABCG2 (0.48) PDE4BSMN1; SMN2ALDH1A1MAPTHTT

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 8 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
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO 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