Sugi Predict

Sugi Predict / Compounds / SCHEMBL7556808

SCHEMBL7556808

SCHEMBL7556808

CC(C)(C)OC(=O)N1CCC(Cn2cnnn2)CC1.CC(C)(C)OC(=O)N1CCC(Cn2ncnn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 14/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL4771035 0.90 GPR119 (0.47) GPR119BACE1KDM4EPKMFAAH
SCHEMBL4773835 0.90 KDM4E (0.46) GPR119BACE1KDM4EPKMFAAH
SCHEMBL4775404 0.76 GPR119 (0.51) GPR119BACE1KDM4EPKMFAAH
SCHEMBL4771557 0.76 BACE1 (0.51) GPR119BACE1KDM4EPKMFAAH
SCHEMBL190831 0.74 GPR119 (0.49) GPR119BACE1KDM4EPKMFAAH
SCHEMBL4777857 0.74 FAAH (0.47) GPR119BACE1KDM4EPKMFAAH
SCHEMBL12255478 0.73 FAAH (0.50) GPR119BACE1KDM4EPKMFAAH
SCHEMBL7551259 0.72 LMNA (0.46) GPR119
SCHEMBL13645880 0.70 GPR119 (0.46) GPR119BACE1KDM4E
SCHEMBL15645613 0.69 BACE1 (0.48) GPR119BACE1KDM4EPKMFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 — — EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 — — WO disclosed