SCHEMBL27809367

SCHEMBL27809367

COc1ccc(N(C)c2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)ncn2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 6/20 0.58
PDE4A P27815 13/20 0.43
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
KMO O15229 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
SCHEMBL27809372 0.89 TPH1 (0.59) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL27829761 0.86 TPH1 (0.58) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL309142 0.81 TPH1 (0.78) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL308500 0.81 TPH1 (0.78) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL309040 0.79 TPH1 (0.60) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL309041 0.79 TPH1 (0.60) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL27809368 0.79 TPH1 (0.60) TPH1PDE4A
SCHEMBL307423 0.75 TPH1 (0.81) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307424 0.75 TPH1 (0.81) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL869240 0.74 TPH1 (0.74) TPH1PDE4APDE4BPDE4CPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083454-A Methods for diagnosing, preventing and treating bone mass disorders UNIV COLUMBIA 2011-06-01 CN disclosed