SCHEMBL13830746

SCHEMBL13830746

NCC1C=CC=C(C2CCNCC2)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL13435560 0.67
SCHEMBL22642090 0.63
SCHEMBL13767655 0.63 SLC18A3 (0.36) SLC18A3SIGMAR1HRH4
SCHEMBL22202086 0.62
SCHEMBL5202273 0.61 MAPT (0.32) SLC18A3SIGMAR1
SCHEMBL24203399 0.60 NISCH (0.37)
SCHEMBL29859614 0.58 SLC18A3 (0.35) SLC18A3SIGMAR1
SCHEMBL28399280 0.58
SCHEMBL18532647 0.58 PRMT6 (0.33) HRH4
SCHEMBL7837564 0.57

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
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed