SCHEMBL6604558

SCHEMBL6604558

CCNC(=O)Nc1ccc(C(=O)N2CCCC(c3ccc(OC)c(OC)c3)=N2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
ABCB1 P08183 1/20 0.49
PGR P06401 7/20 0.47
GAA P10253 1/20 0.45
PDE4B Q07343 2/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
YES1 P07947 1/20 0.42
MAPK1 P28482 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL6602606 0.88 MAOB (0.55) MAOBALDH1A1POLBPGRGAA
SCHEMBL6601921 0.88 MAOB (0.57) MAOBALDH1A1POLBPGRGAA
SCHEMBL143053 0.87 MAOB (0.50) MAOBALDH1A1POLBPGRGAA
SCHEMBL6226074 0.86 ALDH1A1 (0.47) MAOBALDH1A1POLBABCB1PGR
SCHEMBL6601851 0.84 ALDH1A1 (0.48) MAOBALDH1A1POLBPGRGAA
SCHEMBL143747 0.84 ALDH1A1 (0.48) MAOBALDH1A1POLBPGRGAA
SCHEMBL6604612 0.84 MAOB (0.49) MAOBALDH1A1POLBPGRGAA
SCHEMBL6563907 0.84 ALDH1A1 (0.51) MAOBALDH1A1POLBPGRGAA
SCHEMBL6603307 0.83 LMNA (0.54) MAOBALDH1A1POLBPGRGAA
SCHEMBL145108 0.83 ALDH1A1 (0.47) MAOBALDH1A1POLBPGRGAA

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