SCHEMBL3413488

SCHEMBL3413488

Cc1cccc(-c2ccsc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.43
HCRTR2 O43614 4/20 0.43
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RORB Q92753 4/20 0.33
RORC P51449 2/20 0.33
BCAT2 O15382 1/20 0.33
CHRM3 P20309 6/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 1/20 0.32
CTSA P10619 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
SCHEMBL3412461 0.88 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1MAPTHSD17B10
SCHEMBL1340420 0.85 HCRTR2 (0.44) HCRTR1HCRTR2GRM5CTSA
SCHEMBL1341088 0.85 HCRTR2 (0.44) HCRTR1HCRTR2GRM5CTSA
SCHEMBL3417288 0.85 HCRTR2 (0.44) HCRTR1HCRTR2GRM5CTSA
SCHEMBL3413481 0.85 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1MAPTHSD17B10
SCHEMBL2799399 0.85 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A1MAPTHSD17B10
SCHEMBL3414068 0.82 MEN1 (0.43) HCRTR1HCRTR2ALDH1A1CHRM3L3MBTL1
SCHEMBL2924875 0.82 HCRTR2 (0.37) HCRTR1HCRTR2ALDH1A1CHRM3GRM5
SCHEMBL2926961 0.82 MEN1 (0.43) HCRTR1HCRTR2ALDH1A1CHRM3L3MBTL1
SCHEMBL2929944 0.82 HCRTR1 (0.39) 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 2 patents. 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
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed