SCHEMBL28199545

SCHEMBL28199545

NC(CC(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.50
ACP3 P15309 1/20 0.47
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
CTSA P10619 7/20 0.44
S1PR1 P21453 1/20 0.41
PPARG P37231 1/20 0.40
PTGFR P43088 3/20 0.40
MME P08473 1/20 0.40

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
SCHEMBL27697258 1.00 CNR2 (0.50) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL14408312 0.87 IDO1 (0.47) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL195513 0.84 CNR2 (0.51) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL3509115 0.82 CNR2 (0.50) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL21632052 0.82 GABBR2 (0.56) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL13703408 0.82 GABBR2 (0.56) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL17189664 0.81 CNR2 (0.49) CNR2ACP3CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL381508 0.81 CNR2 (0.49) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL195533 0.81 CNR2 (0.46) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL2457680 0.79 EEF2K (0.47) CNR2CTSA

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-107709334-A New amino acid derivativges, its preparation method and include their Pharmaceutical composition 法国施维雅药厂 2018-02-16 CN disclosed