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SCHEMBL8656393

SCHEMBL8656393

COC(=O)CCCN1CCN(C2OC(=O)N(C)C2CCN2CCN(C3CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BRD4 O60885 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
SCHEMBL8658494 0.93 PAOX (0.35) SMN1; SMN2TP53TSHRBRD4
SCHEMBL8656704 0.91 GAA (0.33) HTR7SMN1; SMN2CHRM2CHRM1
SCHEMBL8654666 0.90 HTR7 (0.39) HTR7CHRM2CHRM1
SCHEMBL8659538 0.89 HTR7 (0.36) HTR7SMN1; SMN2HSD17B10
SCHEMBL8659155 0.88 CYP1A2 (0.37) HTR7SMN1; SMN2CHRM2CHRM1
SCHEMBL8654724 0.88 GAA (0.35) HTR7SMN1; SMN2CHRM2CHRM1HSD17B10
SCHEMBL8659398 0.88 HTR7 (0.37) HTR7SMN1; SMN2CHRM2CHRM1HSD17B10
SCHEMBL8658456 0.86 GAA (0.34) HTR7SMN1; SMN2BRD4
SCHEMBL8661418 0.86 SMN1; SMN2 (0.37) HTR7SMN1; SMN2TP53HSD17B10TSHR
SCHEMBL8655552 0.86 SMN1; SMN2 (0.34) SMN1; SMN2

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