SCHEMBL1729336

SCHEMBL1729336

O=C(O)NCC1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.57
MAPT P10636 5/20 0.56
TP53 P04637 4/20 0.56
LMNA P02545 1/20 0.53
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
HTR3A P46098 1/20 0.51
HTR2B P41595 1/20 0.51
USP30 Q70CQ3 1/20 0.50

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
SCHEMBL1728938 0.88 TRPC3 (0.55) TRPC3MAPTTP53LMNABCHE
SCHEMBL4705029 0.84 CKS1B (0.56) TRPC3MAPTTP53BCHE
SCHEMBL3266160 0.83 TP53 (0.50) TRPC3MAPTTP53LMNABCHE
SCHEMBL4704809 0.81 TRPC3 (0.60) TRPC3MAPTTP53LMNABCHE
SCHEMBL4436265 0.79 GRIN2B (0.65) TRPC3MAPTTP53LMNABCHE
SCHEMBL9369695 0.78 TRPC3 (0.68) TRPC3MAPTTP53BCHEACHE
SCHEMBL4713162 0.78 TRPC3 (0.68) TRPC3MAPTTP53BCHEACHE
SCHEMBL4916880 0.77 TRPC3 (0.53) TRPC3MAPTTP53
SCHEMBL4703466 0.76 BCHE (0.60) TRPC3MAPTTP53LMNABCHE
SCHEMBL14587776 0.76 TRPC3 (0.68) TRPC3MAPTTP53LMNABCHE

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed