SCHEMBL6920360

SCHEMBL6920360

COC(=O)c1c(OC)c(OC)cc(-n2nnnc2C(F)(F)F)c1OC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6899145 0.87 GABRP (0.37) TACR1GAAKDM4EMAPT
SCHEMBL6902335 0.87 TACR1 (0.38) TACR1GAA
SCHEMBL6904039 0.81 ALDH1A1 (0.32) TACR1
SCHEMBL6918811 0.79 ATM (0.34) TACR1KDM4EMAPT
SCHEMBL8658515 0.75 MYC (0.40) TACR1GAAKDM4E
SCHEMBL6918745 0.75 HSD17B10 (0.35) TACR1KDM4E
SCHEMBL6906060 0.74 ALDH1A1 (0.39) TACR1GAAPOLBMAPT
SCHEMBL6424614 0.73 TACR1 (0.47) TACR1KDM4E
SCHEMBL6907264 0.70 USP2 (0.41) TACR1POLBMAPT
SCHEMBL6906160 0.69 TACR1 (0.35) TACR1GAA

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
WO-2004111000-A2 PIPERIDYL DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2004-12-23 WO disclosed