SCHEMBL7415564

SCHEMBL7415564

COc1ccc(CNc2n[nH]cc2C(=O)O)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.51
PDE4B Q07343 13/20 0.49
PDE4A P27815 11/20 0.49
PDE4C Q08493 10/20 0.49
PDE4D Q08499 10/20 0.49
RECQL P46063 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.43

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
SCHEMBL7937749 0.92 TPH1 (0.51) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL7412528 0.88 TPH1 (0.47) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL7471407 0.84 PDE4B (0.50) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL2467226 0.83 RECQL (0.53) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL7418284 0.81 RECQL (0.47) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL19389980 0.81 TPH1 (0.41) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL7422273 0.80 RECQL (0.47) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL7937862 0.77 RECQL (0.52) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL7088472 0.76 PDE4B (0.65) TPH1PDE4BPDE4APDE4CPDE4D
SCHEMBL7940449 0.75 RECQL (0.55) TPH1PDE4BPDE4APDE4CPDE4D

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
US-5922751-A BRONCHODILATOR AND ANTIINFLAMMATORY AGENT WITHOUT UNDESIRABLE CARDIOVASCULAR STIMULATION CAUSED BY PHOSPHODIESTERASE III INHIBITOR EURO-CELTIQUE, S.A. (LU) 1999-07-13 US claimed
EP-0766676-B1 COMPOUNDS FOR INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 2002-05-22 EP disclosed
US-6248769-B1 ANTIINFLAMMATORY AGENT EURO-CELTIQUE S.A. (LU) 2001-06-19 US disclosed
US-6103749-A PHENYL IMIDAZOLE COMPOUNDS USEFUL FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION AND DEPRESSION EURO-CELTIQUE S.A. (LU) 2000-08-15 US disclosed
US-5922751-A BRONCHODILATOR AND ANTIINFLAMMATORY AGENT WITHOUT UNDESIRABLE CARDIOVASCULAR STIMULATION CAUSED BY PHOSPHODIESTERASE III INHIBITOR EURO-CELTIQUE, S.A. (LU) 1999-07-13 US disclosed
EP-0766676-A4 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 1998-07-08 EP disclosed
EP-0766676-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-04-09 EP disclosed
WO-1996000218-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-01-04 WO disclosed