SCHEMBL21181508

SCHEMBL21181508

C=C(CCC)C1CCN(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
GNAI3 P08754 2/20 0.33
GNAI1 P63096 2/20 0.33
GNAO1 P09471 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
SCHEMBL13185832 0.82 GNAI3 (0.40) SMN1; SMN2GAAGNAI3GNAI1GNAO1
SCHEMBL4826004 0.80
SCHEMBL24410804 0.77
SCHEMBL4488617 0.74 NAAA (0.36)
SCHEMBL13185830 0.71 GNAI3 (0.39) GNAI3GNAI1GNAO1
SCHEMBL4836366 0.67
SCHEMBL21208063 0.67 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL24242182 0.64 ACE (0.33)
SCHEMBL20880180 0.64 NCF1 (0.38) SMN1; SMN2GAAGNAI3GNAI1GNAO1
SCHEMBL21782877 0.63 DPP4 (0.41) GNAI3GNAI1GNAO1

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-3215489-B1 METHOD FOR THE PREPARATION OF 1-(2-HALOGEN-ETHYL)-4 PIPERIDINE-CARBOXYLIC ACID ETHYL ESTERS OLON SPA (IT) 2019-07-24 EP disclosed