SCHEMBL19112952

SCHEMBL19112952

CC(C)(C)NCC1CCN(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
HTT P42858 1/20 0.32
NCF1 P14598 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
SCHEMBL4569282 0.81 NCF1 (0.46) JAK2JAK1TYK2NCF1
SCHEMBL14176504 0.79 SAT1 (0.39) JAK2JAK1TYK2
SCHEMBL8259142 0.79
SCHEMBL12444046 0.79 JAK2 (0.31) JAK2JAK1TYK2
SCHEMBL14768800 0.78 OPRM1 (0.31) JAK2JAK1TYK2
SCHEMBL10245112 0.78 EPHX1 (0.41)
SCHEMBL21214167 0.77 GNAI3 (0.51) NCF1
SCHEMBL16017510 0.76 HRH3 (0.39)
SCHEMBL16745494 0.76 ACHE (0.41)
SCHEMBL15371153 0.76 TPSAB1 (0.43)

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-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed