SCHEMBL7757158

SCHEMBL7757158

CCCCC(F)(CC1CC1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
CES2 O00748 3/20 0.33
CYP2C9 P11712 1/20 0.33
CES1 P23141 6/20 0.33
FAAH O00519 8/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7757145 0.95 CES2 (0.40) LMNAMAPK1HTTMAPTCES2
SCHEMBL7761145 0.89 CYP2C9 (0.34) LMNAMAPK1HTTMAPTCYP2C9
SCHEMBL7760148 0.81 CES2 (0.42) CES2CES1FAAHMEN1CYP1A2
SCHEMBL7757123 0.77 CES2 (0.39) CES2CES1FAAHMEN1CYP1A2
SCHEMBL7757124 0.77 CES2 (0.39) LMNACES2CES1FAAHMEN1
SCHEMBL7757136 0.72 CES2 (0.47) CES2CES1FAAHMEN1CYP1A2
SCHEMBL7761197 0.72 CES2 (0.47) CES2CES1FAAHMEN1CYP1A2
SCHEMBL7763686 0.71 CES2 (0.35) MAPTCES2CES1FAAHMEN1
SCHEMBL7761183 0.69 CES2 (0.33) CES2CES1FAAHMEN1CYP1A2
SCHEMBL14795141 0.69 THRA (0.42) LMNACYP2C9HSD11B1

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-1089962-A1 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-04-11 EP disclosed
WO-1999067199-A1 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES INC. (US) 1999-12-29 WO disclosed