SCHEMBL25145686

SCHEMBL25145686

FC(F)(F)C1(CNC2CCNCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.39
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
KCNH2 Q12809 1/20 0.33
SOS1 Q07889 1/20 0.33
EPHX1 P07099 1/20 0.31

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
SCHEMBL31253537 0.80 KCNH2 (0.37) KCNH2
SCHEMBL31467971 0.75 DPP7 (0.42) DPP7
SCHEMBL25944777 0.75 GNAI3 (0.39) GNAI3GNAO1GNAI1EPHX1
SCHEMBL31014257 0.75 KCNH2 (0.36) KCNH2
SCHEMBL25944873 0.71 GNAI3 (0.43) GNAI3GNAO1GNAI1
SCHEMBL13703407 0.71 GNAI3 (0.43) DPP7GNAI3GNAO1GNAI1KCNH2
SCHEMBL3652848 0.70 GNAI3 (0.41) DPP7GNAI3GNAO1GNAI1KCNH2
Hydrochloric Acid SCHEMBL3415583 0.68 GNAI3 (0.44) DPP7GNAI3GNAO1GNAI1KCNH2
SCHEMBL3411146 0.68 GNAI3 (0.48) DPP7GNAI3GNAO1GNAI1KCNH2
SCHEMBL17484497 0.68 DPP7 (0.40) DPP7GNAI3GNAO1GNAI1KCNH2

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-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed