SCHEMBL11079770

SCHEMBL11079770

CCC1(CC)CC(=O)NC(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 2/20 0.50
TSHR P16473 1/20 0.50
CRBN Q96SW2 3/20 0.38
CYP19A1 P11511 3/20 0.37
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.31
PTGS1 P23219 2/20 0.30

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
SCHEMBL3079790 0.77 SMN1; SMN2 (0.46) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL14235092 0.77
Bemegride SCHEMBL601065 0.76 LMNA (1.00) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL7435181 0.74 KDM4E (0.40) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL1186756 0.72 KDM4E (0.37) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL18826462 0.72 KDM4E (0.43) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL4998703 0.70 KDM4E (0.36) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL10676973 0.69 KDM4E (0.39) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL3706662 0.69 TSHR (0.58) LMNAKDM4ECYP2C19NPSR1TSHR
SCHEMBL29020997 0.68 SMN1; SMN2 (0.38) LMNAKDM4ECYP2C19NPSR1TSHR

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
US-4452799-A NEUROLEPTIC AGENTS MEAD JOHNSON & COMPANY (US) 1984-06-05 US disclosed
US-4411901-A ANTIPSYCHOTICS MEAD JOHNSON & COMPANY (US) 1983-10-25 US disclosed