SCHEMBL22018858

SCHEMBL22018858

Cc1cc(C)nc(N2C[C@@H]3C(O)NC(=O)[C@@H]3C2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.41
HCRTR2 O43614 17/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL22018203 0.77 KDM4E (0.44) HCRTR1HCRTR2KDM4EHSD17B10USP2
SCHEMBL22018199 0.77 KDM4E (0.44) HCRTR1HCRTR2KDM4EHSD17B10USP2
SCHEMBL27452742 0.72 KDM4E (0.45) HCRTR1HCRTR2KDM4EHSD17B10USP2
SCHEMBL24192976 0.65 HCRTR1 (0.49) HCRTR1HCRTR2KDM4EHSD17B10USP2
SCHEMBL1670922 0.64 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL29117985 0.64 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL21963537 0.64 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL27029764 0.64 KDM4E (0.54) HCRTR1HCRTR2KDM4EHSD17B10USP2
SCHEMBL964130 0.63 KDM4E (0.45) HCRTR1HCRTR2KDM4EHSD17B10USP2
Hydrochloric Acid SCHEMBL29367258 0.63 HCRTR1 (0.50) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020100011-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-22 WO disclosed