SCHEMBL8661601

SCHEMBL8661601

CC(C)N1CCC(CCC2C(N3CCN(CC(=O)O)CC3)OC(=O)N2C)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.31
KCNH2 Q12809 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
SCHEMBL8661783 0.91 GLA (0.31) HRH3KCNH2
SCHEMBL8660892 0.89 CYP1A2 (0.33)
SCHEMBL8654695 0.89 HRH3 (0.32) HRH3
SCHEMBL8659391 0.84 HTR7 (0.39)
SCHEMBL8659057 0.84 SMN1; SMN2 (0.37) HRH3
SCHEMBL8658063 0.84 ITGB3 (0.34)
SCHEMBL8657758 0.83 SIGMAR1 (0.35)
SCHEMBL8654817 0.82 HDAC1 (0.33)
SCHEMBL7304254 0.82 HRH3 (0.33) HRH3KCNH2
SCHEMBL8655178 0.82 ACHE (0.45)

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