SCHEMBL7304874

SCHEMBL7304874

COC(=O)CCN1CCN(C2OC(=O)N(C3CCNCC3)C2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
CACNA1C Q13936 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
SCHEMBL7313319 0.90 MTOR (0.32)
SCHEMBL7311690 0.89 SMN1; SMN2 (0.41) SMN1; SMN2TP53KDM4EALDH1A1TSHR
SCHEMBL7314878 0.88 GLA (0.33)
SCHEMBL7303836 0.86 SMN1; SMN2 (0.38) SMN1; SMN2TP53KDM4EALDH1A1TSHR
SCHEMBL7316429 0.84 CHRM2 (0.38) SMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL7311024 0.84 SMN1; SMN2 (0.35) SMN1; SMN2TP53ALDH1A1HSD17B10TSHR
SCHEMBL7314659 0.82 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL7313931 0.81 ITGB3 (0.31) HSD17B10
SCHEMBL7314564 0.81 SMN1; SMN2 (0.33) SMN1; SMN2TP53
SCHEMBL7307905 0.81 FKBP1A (0.32) SMN1; SMN2TSHR

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