SCHEMBL3415069

SCHEMBL3415069

Cc1cccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cccc3nc(C)oc23)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.45
HCRTR2 O43614 6/20 0.45
ESR1 P03372 1/20 0.32
MAPT P10636 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1340795 0.89 HCRTR1 (0.51) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL3416912 0.88 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3417609 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3417926 0.87 HCRTR1 (0.44) HCRTR1HCRTR2KMT2A
SCHEMBL3416094 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3418116 0.86 HCRTR1 (0.44) HCRTR1HCRTR2MAPTKDM4EALDH1A1
SCHEMBL3417726 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3415476 0.83 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3415414 0.83 HCRTR1 (0.42) HCRTR1HCRTR2MTNR1AMTNR1B
SCHEMBL3411422 0.82 HCRTR1 (0.46) 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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed