SCHEMBL25075430

SCHEMBL25075430

CCC1CCN(CC2CCN(C(=O)C3CCC(C(C)C)CC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HSD11B1 P28845 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ACKR3 P25106 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
TP53 P04637 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
SCHEMBL25480312 0.96 SMN1; SMN2 (0.54) SMN1; SMN2HSD11B1SIGMAR1HPGDPOLB
SCHEMBL26494271 0.87 SMN1; SMN2 (0.48) SMN1; SMN2HSD11B1SIGMAR1HPGDPOLB
SCHEMBL26295676 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HSD11B1SIGMAR1HPGDALDH1A1
SCHEMBL25074969 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HSD11B1SIGMAR1ALDH1A1ACKR3
SCHEMBL25074973 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HSD11B1SIGMAR1HPGDPOLB
SCHEMBL26494233 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HSD11B1SIGMAR1HPGDPOLB
SCHEMBL26494226 0.82 HPGD (0.52) SMN1; SMN2HSD11B1HPGDPOLBPKM
SCHEMBL26494238 0.82 HPGD (0.44) SMN1; SMN2HSD11B1SIGMAR1HPGDPOLB
SCHEMBL24334511 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HSD11B1ALDH1A1HTTACKR3
SCHEMBL26263853 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HSD11B1ALDH1A1HTTACKR3

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-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed