SCHEMBL8626174

SCHEMBL8626174

CCCCCCCC(CC)NC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR2 P34972 2/20 0.49
FFAR2 O15552 2/20 0.48
SMYD3 Q9H7B4 2/20 0.48
EPHX1 P07099 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
FAAH O00519 1/20 0.44
MAPK8 P45983 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE5A O76074 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
SCHEMBL8695595 0.81 CNR2 (0.72) MEN1KMT2ACNR2TDP1
SCHEMBL2822341 0.79 MEN1 (0.57) MEN1MAPTKMT2ACNR2FFAR2
SCHEMBL7573699 0.79 FAAH (0.50) MEN1MAPTKMT2AFFAR2SMYD3
SCHEMBL6136366 0.78 MEN1 (0.60) MEN1MAPTKMT2ACNR2FFAR2
SCHEMBL9849400 0.78 MEN1 (0.62) MEN1MAPTKMT2ACNR2FFAR2
SCHEMBL31294341 0.75 EPHX1 (0.53) MEN1MAPTKMT2ASMYD3EPHX1
SCHEMBL9625224 0.74 TDP1 (0.54) MEN1MAPTKMT2ACNR2KDM4E
SCHEMBL23758509 0.74 ALDH1A1 (0.62) MEN1MAPTKMT2ASMYD3HDAC1
SCHEMBL1852549 0.74 CNR2 (0.72) MEN1KMT2ACNR2
SCHEMBL1856691 0.74 CNR2 (0.72) MEN1KMT2ACNR2

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
US-5760023-A CYCLOHEXYLACETAMIDE DERIVATIVES, AGONIST AT KAPPA OPIOD RECEPTORS, TREATMENT OF ITCHING ADOLOR CORPORATION (US) 1998-06-02 US disclosed