SCHEMBL27698097

SCHEMBL27698097

CC(C)(C)NC(=O)OC1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HRH3 Q9Y5N1 11/20 0.46
▸ DEGS1 O15121 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.45
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ SMO Q99835 1/20 0.44
▸ PANK3 Q9H999 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
SCHEMBL27920306 0.86 HRH3 (0.46) HRH3PANK3
SCHEMBL27846042 0.84 HRH3 (0.62) KDM4EMAPTHRH3
SCHEMBL27846068 0.84 HRH3 (0.60) HRH3
SCHEMBL28789456 0.83 PANK3 (0.50) HRH3GPR119PANK3
SCHEMBL27551999 0.81 TRPV1 (0.47) HRH3GPR119SMO
SCHEMBL23300743 0.80 HRH3 (0.51) KDM4EMAPTHRH3DEGS1GPR119
SCHEMBL27913158 0.80 GPR119 (0.56) HRH3GPR119SMO
SCHEMBL27665053 0.80 HTR3E (0.54) HRH3SMO
SCHEMBL27718555 0.80 CHRM4 (0.45) HRH3
SCHEMBL27940101 0.80 HRH3 (0.47) HRH3

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-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 — — CN disclosed
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