SCHEMBL4191597

SCHEMBL4191597

CC(C)[Si](OC1CCN(N2CC[C@@H](Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)cc3)C2=O)CC1)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.34
AKR1C2 P52895 2/20 0.34
AKR1C1 Q04828 2/20 0.34
ADRB1 P08588 5/20 0.33
ADRB3 P13945 5/20 0.33
XDH P47989 1/20 0.32
CHRM2 P08172 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
CYP26A1 O43174 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
MAP3K5 Q99683 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 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
SCHEMBL4345635 0.92 P2RX3 (0.34) ROCK2CHRM2LTB4RLTB4R2AXL
SCHEMBL1092603 0.86 CHRM2 (0.37) CHRM2
SCHEMBL1092608 0.86 CHRM2 (0.37) CHRM2
SCHEMBL1092227 0.85 ROCK2 (0.35) ROCK2ADRB1ADRB3
SCHEMBL1094079 0.85 ROCK2 (0.35) ROCK2ADRB1ADRB3
SCHEMBL1092155 0.84 SRD5A2 (0.33) ROCK2ADRB3
SCHEMBL1092153 0.84 SRD5A2 (0.33) ROCK2ADRB3
SCHEMBL1093032 0.80 ROCK2 (0.35) ROCK2CHRM2
SCHEMBL3284565 0.80 ROCK2 (0.35) ROCK2CHRM2
SCHEMBL1092143 0.79 CHKA (0.34) CHRM2

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