SCHEMBL7940449

SCHEMBL7940449

COc1ccc(CNc2cc[nH]n2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
TPH1 P17752 1/20 0.52
PDE4B Q07343 7/20 0.49
PDE4A P27815 9/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 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
SCHEMBL7937862 0.81 RECQL (0.52) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL7422660 0.81 PDE4B (0.49) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL309631 0.80 TPH1 (0.51) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL1713655 0.80 TPH1 (0.51) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL307931 0.80 TPH1 (0.49) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL13317191 0.79 RECQL (0.61) RECQLPDE4BPDE4APDE4CPDE4D
SCHEMBL7471407 0.79 PDE4B (0.50) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL27589238 0.79 RECQL (0.50) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL308215 0.79 TPH1 (0.49) RECQLTPH1PDE4BPDE4APDE4C
SCHEMBL7424560 0.78 RECQL (0.49) RECQLTPH1PDE4BPDE4APDE4C

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
CN-101257904-A Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist NYCOMED GMBH (DE) 2008-09-03 CN claimed
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
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