SCHEMBL24866005

SCHEMBL24866005

CC(C)C(=O)NCC1CC2CN(CCCN3CCN(C)CC3)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAOX Q6QHF9 1/20 0.36
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
HTR4 Q13639 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
FPR3 P25089 1/20 0.31

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
SCHEMBL22306149 0.90 HTR4 (0.37) USP2DRD2DRD4TP53SMN1; SMN2
SCHEMBL22952356 0.79 HTR4 (0.38) USP2DRD2DRD4TP53SMN1; SMN2
SCHEMBL22951190 0.79 DRD2 (0.37) USP2DRD2DRD4TP53SMN1; SMN2
SCHEMBL24865985 0.78 EPHX1 (0.41) DRD2DRD4KMT2AEPHX1EPHX2
SCHEMBL24865912 0.76 HTR4 (0.33) DRD2DRD4HTR4SIGMAR1DPP4
SCHEMBL24865914 0.75 EPHX1 (0.36) USP2DRD2TP53SMN1; SMN2EPHX1
SCHEMBL25089654 0.75 EPHX1 (0.46) USP2DRD2DRD4TP53SMN1; SMN2
SCHEMBL14520631 0.74 USP2 (0.59) USP2DRD2DRD4TP53SMN1; SMN2
SCHEMBL22302357 0.74 HTR4 (0.43) DRD2DRD4TP53SMN1; SMN2EPHX1
SCHEMBL9891801 0.73 MAPT (0.44) KMT2AEPHX1EPHX2ALDH1A1DPP4

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-2023283263-A1 CITRATE SALT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME FOGHORN THERAPEUTICS INC. (US) 2023-01-12 WO disclosed