SCHEMBL6018700

SCHEMBL6018700

CN(C[C@H]1CC[C@H](CN2CCCC2)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.51
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
KDM2B Q8NHM5 4/20 0.46
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL6018699 1.00 LSS (0.51) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019511 0.99 LSS (0.53) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019508 0.99 LSS (0.53) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019832 0.89 LSS (0.65) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019829 0.89 LSS (0.65) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019147 0.88 LSS (0.53) LSSHRH3
SCHEMBL6019128 0.88 LSS (0.64) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019150 0.88 LSS (0.53) LSSHRH3
SCHEMBL6019125 0.88 LSS (0.64) LSSMAPTTP53KDM2BLMNA
SCHEMBL6018729 0.86 LSS (0.52) LSSHRH3

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
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed