SCHEMBL21391136

SCHEMBL21391136

CC(O)(CC(=O)CCCCc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RORC P51449 2/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
GHSR Q92847 1/20 0.31
HSD11B1 P28845 1/20 0.31
GAA P10253 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
TRPV1 Q8NER1 2/20 0.30
MAT2A P31153 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 0.91 RORC (0.33) RORC
SCHEMBL21390955 0.84 ALDH1A1 (0.32)
SCHEMBL21391142 0.84 RORC (0.34) CYP11B1CYP11B2RORCTRPV1
SCHEMBL21390903 0.83 RORC (0.32) RORC
SCHEMBL21390907 0.83 RORC (0.32) RORC
SCHEMBL21391143 0.83 MAT2A (0.32) CYP11B1CYP11B2GAATRPV1MAT2A
SCHEMBL21390916 0.83 RORC (0.32) RORC
SCHEMBL21390990 0.82 RORC (0.32) CYP11B1CYP11B2RORC
SCHEMBL21390918 0.82 RORC (0.34) RORC
SCHEMBL21390954 0.82 RORC (0.32) CYP11B1CYP11B2RORC

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