SCHEMBL21390903

SCHEMBL21390903

CC(O)(CC(=O)CCCCc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.32
MGLL Q99685 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL21390907 1.00 RORC (0.32) RORCMGLLPDE2A
SCHEMBL21390954 0.91 RORC (0.32) RORCMGLL
SCHEMBL21390916 0.89 RORC (0.32) RORC
SCHEMBL21390990 0.88 RORC (0.32) RORC
SCHEMBL21390918 0.88 RORC (0.34) RORC
SCHEMBL21391012 0.87 CYP11B1 (0.32) RORC
SCHEMBL21391134 0.87 RORC (0.33) RORC
SCHEMBL21390906 0.86 PDE2A (0.31) PDE2A
SCHEMBL21390848 0.85 RORC (0.33) RORCMGLL
SCHEMBL21390904 0.85 PDE2A (0.32) PDE2A

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed