SCHEMBL7304254

SCHEMBL7304254

CC(C)N1CCC(CCN2C(=O)OC(N3CCN(CC(=O)O)CC3)C2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.33
KCNH2 Q12809 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
SCHEMBL7313111 0.91 HRH3 (0.31) HRH3
SCHEMBL7314775 0.90 HRH3 (0.36) HRH3
SCHEMBL7309143 0.89 CYP1A2 (0.32) HRH3
SCHEMBL7300811 0.85 MAOB (0.37)
SCHEMBL7315123 0.85 HTR7 (0.38) HRH3
SCHEMBL7309953 0.84 SMN1; SMN2 (0.36) HRH3
SCHEMBL7319402 0.83 SIGMAR1 (0.35)
SCHEMBL7305673 0.83 HRH3 (0.31) HRH3
SCHEMBL8661601 0.82 HRH3 (0.31) HRH3KCNH2
SCHEMBL7313638 0.82 ACHE (0.47)

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
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed