SCHEMBL6606959

SCHEMBL6606959

COc1ccc(C2=NN(C(=O)Cc3ccc(NC(=O)c4cccnc4)cc3)CCC2)cc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.47
ABCB1 P08183 1/20 0.47
ABL1 P00519 6/20 0.47
PDE4B Q07343 1/20 0.43
ALDH1A1 P00352 2/20 0.42
AAK1 Q2M2I8 2/20 0.41
OPRM1 P35372 1/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6601945 0.93 ABCG2 (0.53) ABCG2ABCB1PDE4BALDH1A1AAK1
Hydrochloric Acid SCHEMBL7650717 0.93 ABCG2 (0.53) ABCG2ABCB1PDE4BALDH1A1AAK1
SCHEMBL6602631 0.90 ABCG2 (0.48) ABCG2ABCB1PDE4BALDH1A1AAK1
SCHEMBL143145 0.90 ABL1 (0.51) ABCG2ABCB1ABL1ALDH1A1AAK1
SCHEMBL6601874 0.88 ABCG2 (0.47) ABCG2ABCB1PDE4BALDH1A1SMN1; SMN2
SCHEMBL6601996 0.86 ABCG2 (0.48) ABCG2ABCB1PDE4BALDH1A1SMN1; SMN2
SCHEMBL6600756 0.86 PDE4B (0.49) ABCG2ABCB1PDE4BALDH1A1AAK1
SCHEMBL6604710 0.84 LMNA (0.51) ABCG2ABCB1PDE4BALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7646587 0.83 LMNA (0.50) ABCG2ABCB1PDE4BALDH1A1SMN1; SMN2
SCHEMBL6602470 0.83 PDE4B (0.44) ABCG2ABCB1PDE4BALDH1A1AAK1

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