SCHEMBL2445587

SCHEMBL2445587

Cc1nc2sccn2c1OC(=O)NC[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1nc(N)sc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.49
HCRTR2 O43614 9/20 0.47
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2447344 0.93 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2444527 0.93 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2444688 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2446890 0.90 HCRTR1 (0.52) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL496413 0.89 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL2449460 0.88 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2442099 0.87 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2446979 0.86 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2445354 0.86 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2446189 0.86 HCRTR1 (0.49) 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
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP claimed