SCHEMBL5344964

SCHEMBL5344964

CCCN(CCC)OC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.37
FAAH O00519 8/20 0.34
CES1 P23141 6/20 0.33
CES2 O00748 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 2/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
EPHX1 P07099 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 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
SCHEMBL5004257 0.92 FAAH (0.38) MLYCDFAAHCES1CES2MEN1
SCHEMBL3928482 0.88 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28708698 0.82 MLYCD (0.33) MLYCDFAAHCES1CES2MEN1
SCHEMBL7704563 0.79 MLYCD (0.40) MLYCD
SCHEMBL28444877 0.74 CA12 (0.39) CES1CES2CA12CA2CA9
SCHEMBL7024069 0.74 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29049114 0.72 CA12 (0.37) CA12CA2CA9TSHRMAPK1
SCHEMBL5013465 0.72 ALDH1A1 (0.38) CES1HSD17B10CA12CA2CA9
SCHEMBL28778447 0.71 FAAH (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29021583 0.71 FAAH (0.33) FAAHCES1CES2MEN1CYP1A2

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-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed