SCHEMBL4186181

SCHEMBL4186181

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

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.30
CTSS P25774 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
TACR2 P21452 1/20 0.30
TACR1 P25103 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
PREP P48147 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
SCHEMBL4189000 0.85 HRH3 (0.34)
SCHEMBL4184706 0.84
SCHEMBL4179199 0.83 PDE5A (0.34)
SCHEMBL4192647 0.83 HRH3 (0.39)
SCHEMBL4191491 0.81 MAPK14 (0.32)
SCHEMBL4179209 0.77 CHRM2 (0.34)
SCHEMBL1094163 0.77 ROCK2 (0.33) MCHR1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1094166 0.77 ROCK2 (0.33) MCHR1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL4195123 0.75 LRRK2 (0.33)
SCHEMBL4062776 0.69 VNN1 (0.34)

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