SCHEMBL20288192

SCHEMBL20288192

CC1CCC[C@@H](OCCCN)CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32

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
SCHEMBL26288724 0.86
SCHEMBL29291655 0.82 NPC1 (0.45) NPC1
SCHEMBL653814 0.82 ODC1 (0.41) NPC1
SCHEMBL24899987 0.80 CPB2 (0.32) NPC1
SCHEMBL6318844 0.80 NPC1 (0.48) NPC1
SCHEMBL15108551 0.80 NPC1 (0.48) NPC1
SCHEMBL15856478 0.78 NPC1 (0.40) NPC1
SCHEMBL8060908 0.74 NPC1 (0.47) NPC1
SCHEMBL13401898 0.74 SMN1; SMN2 (0.38)
SCHEMBL19576089 0.74 SMN1; SMN2 (0.38)

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-2018112122-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS DREXEL UNIVERSITY (US) 2018-06-21 WO disclosed