SCHEMBL21390800

SCHEMBL21390800

CC(O)(CC(=O)CCCc1nc2ccc(C#N)cc2n1C1CCC1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
CYP11B2 P19099 11/20 0.38
CYP11B1 P15538 9/20 0.36
IDH1 O75874 1/20 0.36
ADRB1 P08588 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP19A1 P11511 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ALK Q9UM73 4/20 0.35
HDAC1 Q13547 3/20 0.35

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
SCHEMBL21390959 1.00 TRPV4 (0.39) TRPV4CYP11B2CYP11B1IDH1ADRB1
SCHEMBL18792015 0.81 TRPV4 (0.47) TRPV4CYP11B2ALK
SCHEMBL18791668 0.81 TRPV4 (0.47) TRPV4CYP11B2ALK
SCHEMBL20111282 0.81 TRPV4 (0.47) TRPV4CYP11B2ALK
SCHEMBL21390801 0.81 PTGDR2 (0.36) TRPV4CYP11B2CYP11B1IDH1
SCHEMBL21390669 0.79 CYP11B2 (0.39) CYP11B2CYP11B1CYP19A1ALKHDAC1
SCHEMBL21391034 0.79 TNKS (0.32) HDAC1
SCHEMBL21391155 0.79 ACSS2 (0.39) CYP11B2CYP11B1HDAC1
SCHEMBL21390805 0.78 TNKS (0.35) HDAC1
SCHEMBL21390970 0.78 CYP11B2 (0.38) TRPV4CYP11B2CYP11B1HDAC1

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