SCHEMBL2931971

SCHEMBL2931971

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.36
HCRTR2 O43614 12/20 0.36
DPP4 P27487 2/20 0.36
GRM2 Q14416 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL2924236 0.95 KDM1A (0.35) HCRTR1HCRTR2
SCHEMBL2926155 0.90 HDAC7 (0.43) HCRTR1HCRTR2
SCHEMBL2925064 0.90 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL2929658 0.90 HCRTR2 (0.36) HCRTR1HCRTR2
SCHEMBL2929505 0.90 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL2924875 0.87 HCRTR2 (0.37) HCRTR1HCRTR2
SCHEMBL2927516 0.86 CYP46A1 (0.40) HCRTR1HCRTR2
SCHEMBL2928985 0.85 GRM2 (0.35) HCRTR1HCRTR2GRM2
SCHEMBL2931970 0.85 GRM2 (0.37) HCRTR1HCRTR2GRM2
SCHEMBL3415834 0.84 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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed