SCHEMBL5503224

SCHEMBL5503224

O=C1CCCN1C1CCCC(Cc2ccc(-c3cnccn3)cc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
CD38 P28907 1/20 0.34
SYK P43405 2/20 0.33
DYRK1A Q13627 3/20 0.33
NPY5R Q15761 2/20 0.33
GSK3B P49841 2/20 0.33
P2RX7 Q99572 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32

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
SCHEMBL5499996 0.86 CNR1 (0.38) JAK2CYP3A4CYP2C9DYRK1AHCRTR1
SCHEMBL5506180 0.86 AAK1 (0.34) CTSSHSD11B1CD38NPY5RP2RX7
Hydrochloric Acid SCHEMBL5504549 0.85 CNR1 (0.38) JAK2CYP3A4CYP2C9DYRK1AHCRTR1
Hydrochloric Acid SCHEMBL5499646 0.85 AAK1 (0.33) CTSSHSD11B1CD38NPY5RP2RX7
SCHEMBL5503778 0.85 CTSS (0.35) CTSSJAK2JAK1JAK3SYK
SCHEMBL5506470 0.85 NPY5R (0.40) CD38NPY5RP2RX7
SCHEMBL5506141 0.85 CD38 (0.35) CTSSJAK2JAK1JAK3CD38
SCHEMBL5504552 0.84 NPY5R (0.34) CTSSJAK2JAK1JAK3CD38
SCHEMBL5501522 0.84 CYP11B2 (0.36) JAK2JAK1JAK3BTK
SCHEMBL5500821 0.84 CNR1 (0.38) JAK2CYP3A4CYP2C9DYRK1ANPY5R

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