SCHEMBL8654666

SCHEMBL8654666

COC(=O)CCCN1CCN(C2OC(=O)N(C)C2CCCCN2CCN(C3CCCCC3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL8658006 0.92 HTR7 (0.39) HTR7SIGMAR1CHRM2CHRM1GRIN1
SCHEMBL8654724 0.92 GAA (0.35) HTR7CHRM2CHRM1
SCHEMBL8659398 0.92 HTR7 (0.37) HTR7CHRM2CHRM1
SCHEMBL8656393 0.90 HTR7 (0.35) HTR7CHRM2CHRM1
SCHEMBL8656704 0.90 GAA (0.33) HTR7SIGMAR1CHRM2CHRM1
SCHEMBL8655755 0.89 HTR7 (0.41) HTR7CHRM2CHRM1GRIN1GRIN2B
SCHEMBL8659458 0.88 FPR3 (0.32) SIGMAR1CHRM2
SCHEMBL8658396 0.87 HTR7 (0.41) HTR7SIGMAR1CHRM2CHRM1GRIN1
SCHEMBL8655425 0.86 HTR7 (0.38) HTR7SIGMAR1CHRM2CHRM1GRIN2B
SCHEMBL8659427 0.85 HTR7 (0.41) HTR7SIGMAR1CHRM2CHRM1GRIN1

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