SCHEMBL7303823

SCHEMBL7303823

COC(=O)CCCN1CCN(C2OC(=O)N(CCN3CCN(C)CC3)C2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAD52 P43351 1/20 0.33
CYP1A2 P05177 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KAT2B Q92831 1/20 0.32
GAA P10253 1/20 0.32
SUV39H2 Q9H5I1 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
SCHEMBL7306902 0.93 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CYP1A2L3MBTL1
SCHEMBL7304274 0.93 SMN1; SMN2 (0.34) GLASMN1; SMN2TSHRLMNA
SCHEMBL7313690 0.91 CYP1A2 (0.33) SMN1; SMN2ALDH1A1LMNACYP1A2GAA
SCHEMBL7317073 0.89 MEN1 (0.33) GLASMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL7307179 0.89 OPRL1 (0.33) PAOXGLASMN1; SMN2FPR3FPR2
SCHEMBL7311246 0.89 DRD2 (0.35) SMN1; SMN2ALDH1A1LMNARAD52
SCHEMBL7303867 0.89 SMN1; SMN2 (0.38) PAOXGLASMN1; SMN2TSHRALDH1A1
SCHEMBL7314139 0.87 CACNA1G (0.42) SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL7313310 0.86 MAOB (0.35) SMN1; SMN2FPR3FPR2
SCHEMBL7316521 0.86 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1

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
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed