SCHEMBL27917816

SCHEMBL27917816

O=C(O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.72
ALDH1A1 P00352 4/20 0.72
PKM P14618 1/20 0.72
GALK1 P51570 1/20 0.63
HTT P42858 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
USP2 O75604 2/20 0.56
NPSR1 Q6W5P4 5/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.55
HCAR3 P49019 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPK1 P28482 2/20 0.52

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
SCHEMBL14834301 0.84 PKM (0.66) LMNAALDH1A1PKMGALK1HTT
SCHEMBL25802934 0.83 PKM (0.64) LMNAALDH1A1PKMGALK1HTT
SCHEMBL2544136 0.79 LMNA (0.56) LMNAALDH1A1PKMGALK1HTT
SCHEMBL5751254 0.78 ALDH1A1 (0.70) LMNAALDH1A1USP2NPSR1MAPT
Hydrochloric Acid SCHEMBL5857416 0.78 LMNA (0.55) LMNAALDH1A1PKMGALK1HTT
SCHEMBL2359491 0.76 PKM (0.58) LMNAALDH1A1PKMGALK1HTT
SCHEMBL5858640 0.75 ALDH1A1 (0.61) LMNAALDH1A1PKMGALK1HTT
SCHEMBL27849817 0.75 PKM (0.56) LMNAALDH1A1PKMGALK1HTT
SCHEMBL5639465 0.73 PKM (0.53) LMNAALDH1A1PKMGALK1HTT
SCHEMBL22587976 0.71 HSD11B1 (0.62) LMNAALDH1A1HTTSMN1; SMN2NPSR1

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-103068797-A Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI SA 2013-04-24 CN disclosed