SCHEMBL21390945

SCHEMBL21390945

CC1(CC(=O)CCCCc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC1 Q13547 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 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
SCHEMBL21390846 0.90 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21390847 0.89 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21390932 0.84
SCHEMBL21390843 0.84 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21391110 0.83 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21391163 0.83 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21390923 0.82 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21390946 0.82 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21390822 0.82 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2HDAC1CDK4
SCHEMBL21390897 0.80 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2HDAC1CDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055538-A1 METHODS OF USE FOR KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2021-03-25 WO disclosed
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed