SCHEMBL24501688

SCHEMBL24501688

CCCC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BDKRB1 P46663 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
HRH3 Q9Y5N1 9/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL24501687 0.88 KDM4E (0.46) KDM4ECYP2C9CYP2C19BDKRB1ACACB
SCHEMBL10130724 0.84 HRH3 (0.51) KDM4EMEN1KMT2AHRH3CYP2D6
SCHEMBL14614943 0.82 MEN1 (0.59) KDM4EMEN1KMT2ACHRM2CHRM1
SCHEMBL24584949 0.80 MEN1 (0.43) KDM4ECYP2C9CYP2C19MEN1KMT2A
SCHEMBL24204794 0.80 GNAI3 (0.51) MEN1KMT2AACACBACACAHRH3
SCHEMBL25075011 0.79 HRH3 (0.46) KDM4ECYP2C9CYP2C19HRH3CYP2D6
SCHEMBL24206641 0.78 ACACB (0.43) MEN1KMT2AACACBACACAHRH3
SCHEMBL24204480 0.78 GNAI3 (0.51) MEN1KMT2AACACBACACAHRH3
SCHEMBL25075229 0.78 HRH3 (0.45) KDM4ECYP2C9CYP2C19MEN1KMT2A
SCHEMBL8229259 0.78 ALDH1A1 (0.56) KDM4EMEN1KMT2AHRH3ALDH1A1

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-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed