SCHEMBL3351613

SCHEMBL3351613

COc1ccc(F)c(-c2nccnc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
FFAR1 O14842 4/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
GRK6 P43250 1/20 0.44
DHODH Q02127 1/20 0.43
STIM1 Q13586 2/20 0.43
ORAI1 Q96D31 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CTSA P10619 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
DYRK3 O43781 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
SCHEMBL11907289 0.77 PRKAB2 (0.46) MAPTFFAR1PRKAB2PRKAG1PRKAA2
SCHEMBL2405190 0.76 KDM4E (0.53) MAPTTSHRPRKAB2PRKAG1PRKAA2
SCHEMBL1711956 0.76 CTSA (0.50) MAPTFFAR1GRK6DHODHSTIM1
SCHEMBL1711786 0.76 GRK6 (0.47) FFAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1965244 0.74 PIN1 (0.54) MAPTTSHRDHODHKDM4EALDH1A1
SCHEMBL11907456 0.73 ATR (0.47) FFAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11909085 0.73 PRKAB2 (0.42) FFAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10028262 0.72 KDM4E (0.51) MAPTTSHRKDM4EALDH1A1LMNA
SCHEMBL11906668 0.72 PRKAB2 (0.44) FFAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29939632 0.71 PDE2A (0.44) MAPTFFAR1GRK6DHODHSTIM1

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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed