SCHEMBL21563294

SCHEMBL21563294

C1CC(C2CC3CCN2CC3)CCN1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.31
GNAO1 P09471 3/20 0.31
GNAI1 P63096 3/20 0.31
KDM4E B2RXH2 1/20 0.30
SLC18A3 Q16572 2/20 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
SCHEMBL6971710 0.84 SIGMAR1 (0.36) KDM4E
SCHEMBL24628143 0.74 CYP2A13 (0.31)
SCHEMBL24629111 0.74 CYP2A13 (0.31)
SCHEMBL4279010 0.74 SLC18A3 (0.35) SLC18A3
SCHEMBL16558022 0.67 SLC18A3 (0.37) KDM4ESLC18A3
SCHEMBL4475326 0.67 L3MBTL3 (0.49) GNAI3GNAO1GNAI1SLC18A3
SCHEMBL24628148 0.67 SIGMAR1 (0.39)
SCHEMBL24279422 0.66
Hydrochloric Acid SCHEMBL28757439 0.65 L3MBTL3 (0.47) GNAI3GNAO1GNAI1SLC18A3
SCHEMBL10239545 0.65

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-2019214634-A1 ERBB RECEPTOR INHIBITORS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2019-11-14 WO disclosed