SCHEMBL5698922

SCHEMBL5698922

OC[C@H](O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.45
CNR2 P34972 3/20 0.44
P2RX7 Q99572 1/20 0.37
SLC6A4 P31645 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN9A Q15858 2/20 0.36
MC4R P32245 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
IDO1 P14902 2/20 0.36
PYGL P06737 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3175964 0.85 ACP3 (0.42) ACP3CNR2P2RX7SLC6A4CACNA2D1
SCHEMBL7148448 0.84 PNMT (0.47) ACP3CNR2P2RX7IDO1
SCHEMBL163013 0.84 PNMT (0.47) ACP3CNR2P2RX7IDO1
SCHEMBL31081588 0.83 ACP3 (0.41) ACP3CNR2P2RX7SLC6A4CACNA2D1
SCHEMBL7784265 0.82 ACP3 (0.44) ACP3CNR2P2RX7SLC6A4CACNA2D1
SCHEMBL28565247 0.82 PDE2A (0.49) ACP3CNR2P2RX7SLC6A4MC4R
SCHEMBL8396680 0.82 ACP3 (0.46) ACP3CNR2P2RX7SLC6A4CACNA2D1
SCHEMBL29558149 0.80 ACP3 (0.45) ACP3CNR2P2RX7SLC6A4CACNA2D1
SCHEMBL10216843 0.80 ACP3 (0.45) ACP3CNR2P2RX7SLC6A4CACNA2D1
SCHEMBL2208288 0.79 ACP3 (0.41) ACP3CNR2P2RX7SLC6A4MC4R

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-1673463-A1 METHOD FOR TRANSFORMING EPOXY CARRIER OF TRIFLUOROMETHYL GROUPS Rhodia Chimie (FR) 2006-06-28 EP disclosed
WO-2005038036-A1 METHOD FOR TRANSFORMING EPOXY CARRIER OF TRIFLUOROMETHYL GROUPS RHODIA CHIMIE (FR) 2005-04-28 WO disclosed