SCHEMBL4189000

SCHEMBL4189000

CC(C)[Si](OC1CCN(N2CCCC2=O)CC1Cc1c(Cl)cc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2)cc1Cl)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.34
SPR P35270 6/20 0.33
MET P08581 2/20 0.32
LRRK2 Q5S007 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE7B Q9NP56 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 0.31
POLB P06746 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
SCHEMBL4179199 0.90 PDE5A (0.34) HRH3METLRRK2PDE5APDE4A
SCHEMBL4192647 0.89 HRH3 (0.39) HRH3METLRRK2KMT2A
SCHEMBL4179209 0.87 CHRM2 (0.34) HRH3SPR
SCHEMBL4183670 0.86 SPR (0.34) HRH3SPRNAMPT
SCHEMBL4186181 0.85 MCHR1 (0.30)
SCHEMBL4062776 0.85 VNN1 (0.34) HRH3SPRMET
SCHEMBL4195123 0.82 LRRK2 (0.33) HRH3METLRRK2PDE5APDE4A
SCHEMBL884195 0.81 SPR (0.35) HRH3SPRKMT2ANAMPT
SCHEMBL4186193 0.81 PDE4B (0.34) PDE4B
SCHEMBL1091982 0.80 HTR2B (0.34) HRH3SPRMETMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed