SCHEMBL6602739

SCHEMBL6602739

COC(=O)Nc1ccccc1C(=O)N1CCCC(c2ccc(OC)c(OC)c2)=N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
PDE4B Q07343 6/20 0.45
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
NPC1 O15118 1/20 0.42
PGR P06401 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CFTR P13569 1/20 0.41
CHEK1 O14757 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
SCHEMBL6602045 0.92 MAOB (0.55) MAOBALDH1A1POLBPDE4BPDE4A
SCHEMBL144923 0.92 ALDH1A1 (0.49) MAOBALDH1A1POLBPDE4BPDE4A
SCHEMBL6601212 0.88 MAOB (0.48) MAOBALDH1A1POLBPDE4BPDE4A
SCHEMBL6600413 0.87 TLR7 (0.50) MAOBALDH1A1POLBNPC1MAPT
SCHEMBL6601582 0.87 MAOB (0.48) MAOBALDH1A1POLBPDE4BNPC1
SCHEMBL6604600 0.86 ABCG2 (0.52) MAOBALDH1A1POLBNPC1LMNA
SCHEMBL6605631 0.86 NPSR1 (0.52) MAOBALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL143512 0.85 AAK1 (0.52) MAOBALDH1A1POLBPDE4BNPC1
SCHEMBL6605566 0.85 CFTR (0.47) MAOBALDH1A1POLBPDE4BNPC1
SCHEMBL6602424 0.85 KMT2A (0.46) MAOBALDH1A1POLBPDE4BLMNA

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-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