SCHEMBL2928985

SCHEMBL2928985

Cc1ccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CN)c(-c2ccccc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
HCRTR1 O43613 14/20 0.34
HCRTR2 O43614 14/20 0.34
CHRM3 P20309 1/20 0.34
PPIA P62937 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2932484 0.92 HCRTR2 (0.41) GRM2HCRTR1HCRTR2
SCHEMBL3415880 0.88 CDK4 (0.36) HCRTR1HCRTR2
SCHEMBL2925299 0.88 CDK4 (0.36) HCRTR1HCRTR2
SCHEMBL2926155 0.86 HDAC7 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL2930523 0.86 HCRTR2 (0.36) HCRTR1HCRTR2
SCHEMBL2931971 0.85 HCRTR1 (0.36) GRM2HCRTR1HCRTR2
SCHEMBL2928983 0.84 GRM2 (0.40) GRM2HCRTR1HCRTR2PPIALMNA
SCHEMBL2925064 0.84 HCRTR2 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL2929658 0.84 HCRTR2 (0.36) HCRTR1HCRTR2
SCHEMBL2929505 0.84 HCRTR2 (0.43) HCRTR1HCRTR2CHRM3

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