SCHEMBL26050282

SCHEMBL26050282

CC(C)N1CCC(C)(C(=O)Nc2cccc(CCS)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
ACKR3 P25106 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 3/20 0.38
HTR1A P08908 3/20 0.36
LIMK2 P53671 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 1/20 0.36
AOC3 Q16853 1/20 0.35
EPHX2 P34913 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
CETP P11597 1/20 0.35
GFER P55789 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 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
SCHEMBL20147938 0.79 ALDH1A1 (0.53) SMN1; SMN2DRD2ALDH1A1CHRM1CETP
SCHEMBL21652031 0.73 POLB (0.50) SMN1; SMN2ALDH1A1
SCHEMBL26050255 0.72 SMARCA2 (0.44) ACKR3LIMK2
SCHEMBL22857089 0.72 DRD2 (0.49) DRD2ALDH1A1CETP
SCHEMBL20158642 0.71 OPRM1 (0.46) PARP1ALDH1A1OPRM1OPRK1CETP
SCHEMBL21214329 0.71 HRH3 (0.53) SMN1; SMN2ALDH1A1CHRM1OPRM1
SCHEMBL22857073 0.69 ALDH1A1 (0.50) SMN1; SMN2DRD2ALDH1A1CETP
SCHEMBL20205764 0.68 FPR2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL346787 0.67 GRIA2 (0.40) OPRM1OPRK1
SCHEMBL20158750 0.67 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1

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-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed