SCHEMBL2931970

SCHEMBL2931970

Cc1ccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c(-c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 10/20 0.34
HCRTR2 O43614 10/20 0.34
POLB P06746 1/20 0.34
HDAC7 Q8WUI4 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE4D Q08499 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
SCHEMBL2924235 0.93 POLB (0.39) GRM2ALDH1A1HCRTR1HCRTR2POLB
SCHEMBL2926153 0.89 HDAC7 (0.44) HCRTR1HCRTR2POLBHDAC7
SCHEMBL2929656 0.89 HCRTR2 (0.37) HCRTR1HCRTR2POLB
SCHEMBL2925061 0.89 HCRTR2 (0.41) SMN1; SMN2HCRTR1HCRTR2PDE4B
SCHEMBL2924872 0.86 HDAC7 (0.36) HCRTR1HCRTR2POLBHDAC7
SCHEMBL2931971 0.85 HCRTR1 (0.36) GRM2HCRTR1HCRTR2
SCHEMBL2927512 0.84 CYP46A1 (0.41) HCRTR1HCRTR2POLB
SCHEMBL3415826 0.84 HCRTR1 (0.44) ALDH1A1LMNATSHRHCRTR1HCRTR2
SCHEMBL2925286 0.84 HCRTR1 (0.44) ALDH1A1LMNATSHRHCRTR1HCRTR2
SCHEMBL2928983 0.84 GRM2 (0.40) GRM2LMNATSHRHTTHCRTR1

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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed