SCHEMBL8418508

SCHEMBL8418508

B.N#CCCc1ccc(OCC2C(O)C3CCN2CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
SIGMAR1 Q99720 3/20 0.34
HRH3 Q9Y5N1 5/20 0.33
HRH2 P25021 4/20 0.33
HRH1 P35367 4/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
TACR1 P25103 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
ACACB O00763 1/20 0.32
KCNJ1 P48048 1/20 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
SCHEMBL8417734 0.99 CHRNA7 (0.38) CHRNA7SIGMAR1HRH3HRH2HRH1
SCHEMBL8421598 0.83 LTA4H (0.42) CHRNA7HRH3
Hydrochloric Acid SCHEMBL8420397 0.81 LTA4H (0.42) CHRNA7HRH3
SCHEMBL8420501 0.70 MEN1 (0.39) CHRNA7HRH3KCNH2
SCHEMBL8968385 0.68 MMP13 (0.39)
SCHEMBL1542065 0.66 MEN1 (0.47) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL8969873 0.66 MMP13 (0.40)
SCHEMBL6572089 0.65 MEN1 (0.45) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL1542586 0.65 GAA (0.47) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL11761259 0.65 GAA (0.56) HRH3PDE4APDE4BPDE4CPDE4D

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed