SCHEMBL8712463

SCHEMBL8712463

Cc1nc2cccc3n(CCCC4CCN(C(=O)OC(C)(C)C)CC4)c(=O)c1n23

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.43
FAAH O00519 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.40
THRB P10828 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
SCHEMBL7871606 0.95 GPR119 (0.45) GPR119FAAHKDM4EPKMMAPT
SCHEMBL7868708 0.91 GPR119 (0.43) GPR119KDM4EPKMMAPTTHRB
SCHEMBL8713586 0.86 KDM1A (0.35)
SCHEMBL8713342 0.84 DRD2 (0.34) KDM4E
SCHEMBL7863517 0.83 GPR119 (0.46) GPR119FAAHKDM4EPKM
SCHEMBL7875427 0.82 GPR119 (0.46) GPR119KDM4EMAPTTHRB
SCHEMBL8717917 0.81 KDM1A (0.34) KDM4E
SCHEMBL7871693 0.79 GPR119 (0.43) GPR119FAAHKDM4EPKM
SCHEMBL8712812 0.77 GPR119 (0.43) GPR119FAAHKDM4EPKMMAPT
Hydrochloric Acid SCHEMBL8712952 0.74 STK4 (0.38)

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
JP-10120568-A None JP disclosed
JP-H10120568-A PREVENTIVE AND THERAPEUTIC AGENT FOR GLOMERULAR NEPHRITIS TAKEDA CHEM IND LTD 1998-05-12 JP disclosed
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed