SCHEMBL9281583

SCHEMBL9281583

COC(=O)C1CCN(CCN2CCC(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
HRH3 Q9Y5N1 1/20 0.48
TP53 P04637 1/20 0.46
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.39
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17271545 0.87 RECQL (0.50) SMN1; SMN2HRH3ALDH1A1GAAKMT2A
SCHEMBL19931764 0.85 HRH3 (0.49) SMN1; SMN2HRH3ALDH1A1GAAMEN1
SCHEMBL7454861 0.85 HRH3 (0.49) SMN1; SMN2HRH3ALDH1A1GAAMEN1
SCHEMBL8829186 0.84 HRH3 (0.48) SMN1; SMN2HRH3ALDH1A1GAAMEN1
SCHEMBL1052899 0.84 HRH3 (0.48) SMN1; SMN2HRH3ALDH1A1GAAMEN1
SCHEMBL18915030 0.84 HRH3 (0.48) SMN1; SMN2HRH3TP53ALDH1A1GAA
SCHEMBL13965741 0.84 HRH3 (0.48) SMN1; SMN2HRH3ALDH1A1MEN1TSHR
SCHEMBL22470192 0.84 DRD2 (0.52) SMN1; SMN2TP53ALDH1A1MEN1TSHR
SCHEMBL24709631 0.83 HRH3 (0.47) SMN1; SMN2HRH3ALDH1A1MEN1TSHR
SCHEMBL13975751 0.83 HRH3 (0.47) HRH3ALDH1A1MEN1TSHRKMT2A

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
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed