SCHEMBL21390856

SCHEMBL21390856

O=C(CCCCc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)C[C@@H](O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.32
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 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
SCHEMBL21390853 0.97 RORC (0.32) RORCCYP11B1CYP11B2PDE4BPDE4D
SCHEMBL21390848 0.91 RORC (0.33) RORCCYP11B1CYP11B2PDE4BPDE4D
SCHEMBL21391139 0.88 NPC1 (0.35) RORCPDE4BPDE4D
SCHEMBL21391135 0.88 NPC1 (0.35) RORCPDE4BPDE4D
SCHEMBL21390851 0.84 RORC (0.31) RORC
SCHEMBL21390990 0.84 RORC (0.32) RORCCYP11B1CYP11B2
SCHEMBL21390954 0.83 RORC (0.32) RORCCYP11B1CYP11B2
SCHEMBL21391012 0.83 CYP11B1 (0.32) RORCCYP11B1CYP11B2
SCHEMBL21390916 0.83 RORC (0.32) RORC
SCHEMBL21390855 0.81 RORC (0.33) RORCCYP11B1CYP11B2

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