SCHEMBL28077422

SCHEMBL28077422

CN1CCC[C@H]1CCNS(=O)(=O)c1ccc(N)cc1-c1ccc2c(c1)C(CC1CCCCC1)NCC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.33
METAP2 P50579 3/20 0.32
NPY5R Q15761 1/20 0.31
PDE5A O76074 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
SCHEMBL2493535 0.83 PDE5A (0.38) METAP2PDE5A
SCHEMBL28077287 0.81 CHRM3 (0.36) CHRM3METAP2
SCHEMBL28001951 0.80 HRH3 (0.40) CHRM3METAP2NPY5R
Fumaric Acid SCHEMBL27884093 0.78 TSHR (0.37) METAP2PDE5A
Fumaric Acid SCHEMBL27884094 0.78 TSHR (0.36) METAP2PDE5A
Fumaric Acid SCHEMBL27987491 0.78 TSHR (0.36) METAP2PDE5A
Fumaric Acid SCHEMBL28077286 0.75 HRH3 (0.36) CHRM3METAP2NPY5R
SCHEMBL2563412 0.71 HRH3 (0.41)
SCHEMBL2563612 0.71 HRH3 (0.41)
SCHEMBL2565894 0.71 HRH3 (0.41)

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
CN-105764510-A An H3 receptor antagonist combined with a cholinesterase inhibitor for use in the treatment of alzheimer's disease 赛诺菲 2016-07-13 CN claimed