SCHEMBL25387175

SCHEMBL25387175

O=C(O)N1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
LIPE Q05469 10/20 0.47
KCNA5 P22460 1/20 0.46
PPARD Q03181 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CHRM4 P08173 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NOTUM Q6P988 1/20 0.42
PDE5A O76074 1/20 0.42

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
SCHEMBL25391320 1.00 CACNA1B (0.47) CACNA1BLIPEKCNA5PPARDFFAR4
SCHEMBL26978098 1.00 CACNA1B (0.47) CACNA1BLIPEKCNA5PPARDFFAR4
SCHEMBL25389457 1.00 CACNA1B (0.47) CACNA1BLIPEKCNA5PPARDFFAR4
SCHEMBL31288343 0.83 LIPE (0.65) CACNA1BLIPEKCNA5PPARDPDE5A
SCHEMBL31288403 0.83 LIPE (0.65) CACNA1BLIPEKCNA5PPARDPDE5A
SCHEMBL31288370 0.83 LIPE (0.65) CACNA1BLIPEKCNA5PPARDPDE5A
SCHEMBL24227416 0.83 LIPE (0.65) CACNA1BLIPEKCNA5PPARDPDE5A
SCHEMBL9104053 0.81 KCNA5 (0.62) KCNA5PPARDFFAR4CHRM4
SCHEMBL25390170 0.80 HCRTR1 (0.47) CHRM4HDAC3HDAC4HDAC1HDAC7
SCHEMBL25389384 0.80 HCRTR1 (0.47) CHRM4HDAC3HDAC4HDAC1HDAC7

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-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed