SCHEMBL4062776

SCHEMBL4062776

CC(C)[Si](OC1CCC(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 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MET P08581 2/20 0.33
SPR P35270 4/20 0.33
F10 P00742 1/20 0.33
SYK P43405 2/20 0.32
KDM5A P29375 1/20 0.32
RORC P51449 1/20 0.32
HDAC4 P56524 1/20 0.32
P2RX7 Q99572 1/20 0.31
MMP13 P45452 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
SCHEMBL4189000 0.85 HRH3 (0.34) HRH3METSPR
SCHEMBL4206238 0.80 VNN1 (0.36) VNN1HRH3SPRF10SYK
SCHEMBL208583 0.79 MET (0.36) HRH3METSPRRORCP2RX7
SCHEMBL208582 0.79 MET (0.36) HRH3METSPRRORCP2RX7
SCHEMBL209140 0.79 MET (0.36) HRH3METSPRRORCP2RX7
SCHEMBL208581 0.79 MET (0.36) HRH3METSPRRORCP2RX7
SCHEMBL4058807 0.77 NPSR1 (0.35) VNN1HRH3SPR
SCHEMBL4179199 0.75 PDE5A (0.34) HRH3MET
SCHEMBL1091982 0.74 HTR2B (0.34) HRH3METSPRP2RX7
SCHEMBL1091979 0.74 HTR2B (0.34) HRH3METSPRP2RX7

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-2016047-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed