SCHEMBL21766673

SCHEMBL21766673

CCCC(CCC)CNC(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL20343653 0.91 KMT2A (0.41) MEN1KMT2AHDAC8HDAC6HDAC7
SCHEMBL28122056 0.90 MEN1 (0.42) MEN1KMT2AFAAH
SCHEMBL19662464 0.84 CASP2 (0.45) HDAC8HDAC6HDAC1HDAC2CYP3A4
SCHEMBL17624747 0.81 KMT2A (0.48) MEN1KMT2ACYP2C9TSHRPSMB5
SCHEMBL28108993 0.80 MEN1 (0.54) MEN1KMT2AHDAC8HDAC6HDAC7
SCHEMBL18908557 0.80 MEN1 (0.43) MEN1KMT2AHDAC8HDAC6HDAC7
SCHEMBL25963585 0.80 MEN1 (0.43) MEN1KMT2AHDAC8HDAC6HDAC7
SCHEMBL8515067 0.79 TSHR (0.55) MEN1KMT2ATDP1TSHRCYP3A4
SCHEMBL14397158 0.79 PAOX (0.39) HDAC8HDAC6HDAC7HDAC9HDAC5
SCHEMBL25776053 0.78 MEN1 (0.41) MEN1KMT2AHDAC8HDAC6HDAC7

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-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO disclosed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed