SCHEMBL16649593

SCHEMBL16649593

NCC[C@@H](N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CACNA1C Q13936 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KCNK2 O95069 1/20 0.50
KCNH2 Q12809 1/20 0.50
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
MAOB P27338 1/20 0.44
SLC7A5 Q01650 5/20 0.43
IDO1 P14902 1/20 0.39
TACR1 P25103 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL9903763 0.85 TAAR1 (0.47) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL14786542 0.84 GRM8 (0.42) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL3602797 0.84 PDE2A (0.43) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL17352715 0.84 GRM8 (0.42) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL3595268 0.84 PDE2A (0.43) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL906156 0.84 PDE2A (0.43) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
Hydrochloric Acid SCHEMBL23112722 0.82 GRM8 (0.41) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL2320826 0.82 PDE2A (0.42) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL2319194 0.82 PDE2A (0.42) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1
SCHEMBL2319191 0.82 PDE2A (0.42) SLC6A2SLC6A4SLC6A3CACNA1CTAAR1

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
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed