SCHEMBL21391142

SCHEMBL21391142

CC(O)(CC(=O)CCCc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.34
ENPP2 Q13822 1/20 0.33
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
IDO1 P14902 1/20 0.30
MCHR1 Q99705 1/20 0.30
PARP1 P09874 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
SCHEMBL21391134 0.89 RORC (0.33) RORCPARP1
SCHEMBL21391143 0.85 MAT2A (0.32) PDE2APDE10ACYP11B1CYP11B2TRPV1
SCHEMBL21391136 0.84 CYP11B1 (0.34) RORCCYP11B1CYP11B2TRPV1
SCHEMBL21391141 0.84 RORC (0.32) RORC
SCHEMBL21390903 0.83 RORC (0.32) RORCPDE2A
SCHEMBL21391133 0.83 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL21390907 0.83 RORC (0.32) RORCPDE2A
SCHEMBL21390955 0.82 ALDH1A1 (0.32)
SCHEMBL21390916 0.82 RORC (0.32) RORC
SCHEMBL21390990 0.82 RORC (0.32) 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