SCHEMBL4194920

SCHEMBL4194920

O=C(c1ccc(-c2ccc(CC3CN(N4CCCC4=O)CCC3O)cc2)cc1Cl)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SPR P35270 6/20 0.34
CHRM2 P08172 2/20 0.33
HSD11B1 P28845 1/20 0.32
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
NR1I2 O75469 1/20 0.31
CACNA1B Q00975 1/20 0.31
CCR3 P51677 1/20 0.31
RAB9A P51151 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4179209 0.86 CHRM2 (0.34) KCNH2HRH3SPRCHRM2PIK3CA
SCHEMBL4183670 0.85 SPR (0.34) HTR2BHRH3SPR
SCHEMBL1093152 0.80 PIK3CA (0.37) CYP2C9CYP2C19HTR2BMAPK14KCNH2
SCHEMBL1093150 0.80 PIK3CA (0.37) CYP2C9CYP2C19HTR2BMAPK14KCNH2
SCHEMBL4192427 0.74 JAK2 (0.33) KCNH2HRH3LMNASMN1; SMN2NPSR1
SCHEMBL884195 0.74 SPR (0.35) HTR2BHRH3SPR
SCHEMBL4185003 0.73 PDE5A (0.34) HRH3LMNASMN1; SMN2NPSR1
SCHEMBL4196923 0.73 HPGD (0.42) HRH3CHRM2NPSR1
SCHEMBL1092603 0.72 CHRM2 (0.37) SPRCHRM2PIK3CAMTORLMNA
SCHEMBL1092608 0.72 CHRM2 (0.37) SPRCHRM2PIK3CAMTORLMNA

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