SCHEMBL5500083

SCHEMBL5500083

CC1C(Cc2ccc(-c3ccncc3)cc2Cl)CCCC1N1CCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
NR1I2 O75469 1/20 0.32
HSD11B1 P28845 1/20 0.32
GRM2 Q14416 2/20 0.32
GPR142 Q7Z601 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PDE4B Q07343 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CHKA P35790 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ROCK2 O75116 1/20 0.31
USP7 Q93009 2/20 0.30
HTR6 P50406 1/20 0.30
CDC7 O00311 1/20 0.30
CDK9 P50750 1/20 0.30
P2RX7 Q99572 2/20 0.30
PDCD1LG2 Q9BQ51 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
Hydrochloric Acid SCHEMBL5505760 0.99 HCRTR1 (0.33) HCRTR1HCRTR2NR1I2HSD11B1GRM2
SCHEMBL5509665 0.89 CYP11B1 (0.38) HCRTR1HCRTR2NR1I2HSD11B1GRM2
SCHEMBL5502921 0.88 GRM2 (0.35) HCRTR1HCRTR2GRM2APOBEC3AAPOBEC3G
SCHEMBL5500515 0.84 P2RX7 (0.42) P2RX7
SCHEMBL5505772 0.83 KMT2A (0.35) P2RX7
SCHEMBL5506180 0.79 AAK1 (0.34) HCRTR1HCRTR2HSD11B1GPR142HRH3
Hydrochloric Acid SCHEMBL5499646 0.78 AAK1 (0.33) HCRTR1HCRTR2HSD11B1GPR142HRH3
SCHEMBL5500612 0.76 NPY5R (0.36) HCRTR1HCRTR2HSD11B1HRH3USP7
SCHEMBL5507818 0.73 HCRTR1 (0.39) HCRTR1HCRTR2HSD11B1GRM2
SCHEMBL2999700 0.73 ROCK2 (0.37) HSD11B1GRM2CHKAROCK2HTR6

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed