SCHEMBL8659147

SCHEMBL8659147

COC(=O)CN1CCN(C2OC(=O)N(C)C2CCCCC2CCN(C(C)(C)C)CC2)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL8655147 0.91 CHRM1 (0.32) SIGMAR1
SCHEMBL8658143 0.89 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8655212 0.89 SIGMAR1 (0.36) SIGMAR1
SCHEMBL8654586 0.86 TPSAB1 (0.33)
SCHEMBL8659308 0.86 SIGMAR1 (0.35) SIGMAR1
SCHEMBL8655554 0.84 GLA (0.30)
SCHEMBL8655367 0.84 TPSAB1 (0.33)
SCHEMBL8659262 0.84 ACHE (0.43)
SCHEMBL8656794 0.83 S1PR5 (0.34)
SCHEMBL8661398 0.83 GPR119 (0.30)

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