SCHEMBL6604768

SCHEMBL6604768

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
PDE4B Q07343 11/20 0.46
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.37
NTRK1 P04629 1/20 0.37
KCNH2 Q12809 1/20 0.37
NTRK2 Q16620 1/20 0.37

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
SCHEMBL6601466 0.92 MAOB (0.56) MAOBPDE4BHTTALDH1A1LMNA
SCHEMBL6603625 0.87 MAOB (0.48) MAOBPDE4BALDH1A1LMNASMN1; SMN2
SCHEMBL6602525 0.86 ALDH1A1 (0.51) MAOBPDE4BALDH1A1LMNASMN1; SMN2
SCHEMBL6601003 0.85 PDE4B (0.49) MAOBPDE4B
SCHEMBL6604734 0.83 PDE4B (0.43) MAOBPDE4BALDH1A1LMNASMN1; SMN2
SCHEMBL6625815 0.81 MAOB (0.53) MAOBPDE4BHTTALDH1A1LMNA
SCHEMBL6606959 0.81 ABCG2 (0.47) PDE4BHTTALDH1A1LMNASMN1; SMN2
SCHEMBL3324145 0.80 MAOB (0.58) MAOBPDE4BHTTALDH1A1LMNA
SCHEMBL981491 0.78 MAOB (0.64) MAOBPDE4BHTTALDH1A1LMNA
SCHEMBL6601399 0.78 MAOB (0.46) MAOBPDE4BALDH1A1LMNASMN1; SMN2

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