SCHEMBL21604564

SCHEMBL21604564

CC(=O)Nc1nc(Br)c(CN2CCCC(Cc3cc(C)nc(C)c3)C2)s1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.70
OPRK1 P41145 1/20 0.70
SLC6A4 P31645 2/20 0.68
SLC6A3 Q01959 2/20 0.68
ADRA2B P18089 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
CCR3 P51677 14/20 0.40
CYP2D6 P10635 12/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL21604548 1.00 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28564168 0.89 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21369614 0.89 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21604651 0.89 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21370299 0.83 OGA (0.61) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28574849 0.83 OGA (0.61) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28573623 0.83 OGA (0.61) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21369468 0.83 OGA (0.61) OGAOPRK1SLC6A4SLC6A3ADRA2B
Jnj-65355394 SCHEMBL20281725 0.82 OGA (1.00) OGAOPRK1SLC6A4SLC6A3ADRA2B
Jnj-65355394 SCHEMBL20281723 0.82 OGA (1.00) OGAOPRK1SLC6A4SLC6A3ADRA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed