SCHEMBL3418116

SCHEMBL3418116

Cc1cccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cccc3nsnc23)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.44
HCRTR2 O43614 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL3415450 0.93 HCRTR1 (0.36) HCRTR1HCRTR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3417926 0.89 HCRTR1 (0.44) HCRTR1HCRTR2LMNA
SCHEMBL1340759 0.89 HCRTR1 (0.48) HCRTR1HCRTR2SMN1; SMN2LMNA
SCHEMBL3416912 0.88 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3417726 0.87 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3416094 0.87 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3415069 0.86 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL3411422 0.83 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3414514 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3415476 0.82 HCRTR1 (0.42) HCRTR1HCRTR2LMNA

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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed