SCHEMBL8655425

SCHEMBL8655425

COC(=O)CCN1CCN(C2OC(=O)N(C)C2CCC2CCN(C3CCCCC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GRIN2B Q13224 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8659398 0.94 HTR7 (0.37) HTR7HSD17B10KDM4ESMN1; SMN2CHRM2
SCHEMBL8655982 0.91 SIGMAR1 (0.38) HTR7HSD17B10KDM4EALDH1A1NPSR1
SCHEMBL8661418 0.90 SMN1; SMN2 (0.37) HTR7HSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8655407 0.89 HTR7 (0.40) HTR7HSD17B10KDM4EALDH1A1BCHE
SCHEMBL8654724 0.89 GAA (0.35) HTR7HSD17B10KDM4ESMN1; SMN2CHRM2
SCHEMBL8654666 0.86 HTR7 (0.39) HTR7GRIN2BCHRM2CHRM1SIGMAR1
SCHEMBL8659057 0.86 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8656704 0.85 GAA (0.33) HTR7SMN1; SMN2CHRM2CHRM1SIGMAR1
SCHEMBL8659308 0.85 SIGMAR1 (0.35) HTR7ALDH1A1CHRM2CHRM1SIGMAR1
SCHEMBL8659391 0.84 HTR7 (0.39) HTR7HSD17B10KDM4ESMN1; 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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed