SCHEMBL21390970

SCHEMBL21390970

CC(C)(CC(=O)CCCCc1nc2ccc(C#N)cc2n1C1CCC1)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.38
CYP11B1 P15538 9/20 0.38
HDAC1 Q13547 4/20 0.35
TRPV4 Q9HBA0 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL30315414 0.81 TRPV4 (0.43) CYP11B2CYP11B1TRPV4
SCHEMBL21354747 0.81 TRPV4 (0.43) CYP11B2CYP11B1TRPV4
SCHEMBL21390800 0.78 TRPV4 (0.39) CYP11B2CYP11B1HDAC1TRPV4
SCHEMBL21390959 0.78 TRPV4 (0.39) CYP11B2CYP11B1HDAC1TRPV4
SCHEMBL30659123 0.76 ALK (0.43) CYP11B2CYP11B1TRPV4
SCHEMBL17582997 0.76 ALK (0.43) CYP11B2CYP11B1TRPV4
SCHEMBL17583002 0.76 ALK (0.43) CYP11B2CYP11B1TRPV4
SCHEMBL21580940 0.75 TRPV4 (0.42) CYP11B2CYP11B1TRPV4
SCHEMBL21391007 0.74 CYP11B2 (0.42) CYP11B2CYP11B1HDAC1TRPV4
SCHEMBL23132031 0.74 CYP11B2 (0.41) CYP11B2CYP11B1HDAC1

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