SCHEMBL13708854

SCHEMBL13708854

COc1c(C(=O)NC2CCNCC2)[nH]c2cc(C)n(CC(=O)c3ccccc3)c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ HTR4 Q13639 2/20 0.39
▸ SMO Q99835 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ DVL1 O14640 1/20 0.37
▸ DVL3 Q92997 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
SCHEMBL13708909 0.86 LMNA (0.44) LMNASMO
SCHEMBL10314246 0.82 SMO (0.52) LMNAHTR4SMO
Hydrochloric Acid SCHEMBL1063285 0.82 SMO (0.52) LMNAHTR4SMO
SCHEMBL12826058 0.79 SMO (0.45) HTR4SMODVL1DVL3
SCHEMBL13708904 0.78 SMO (0.64) LMNASMO
SCHEMBL12826280 0.77 SMO (0.43) HTR4SMO
SCHEMBL10314247 0.77 SMO (0.55) LMNASMO
Hydrochloric Acid SCHEMBL1058628 0.76 SMO (0.55) LMNASMO
SCHEMBL10314248 0.74 SMO (0.64) HTR4SMO
Hydrochloric Acid SCHEMBL1060009 0.74 SMO (0.63) HTR4SMO

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
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — WO disclosed
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