SCHEMBL20870848

SCHEMBL20870848

CCN(CC)C1CCC(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A4 P31645 2/20 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
SCHEMBL20321803 0.84 SLC6A2 (0.35) SLC6A4
SCHEMBL20321696 0.84 SLC6A2 (0.35) SLC6A4
SCHEMBL9862148 0.82 ADH1C (0.33) DRD2DRD4DRD3SLC6A4
SCHEMBL835196 0.82 — —
SCHEMBL24514354 0.79 KDM4E (0.32) DRD2DRD4DRD3SLC6A4
SCHEMBL6923272 0.79 KDM4E (0.32) DRD2DRD4DRD3SLC6A4
SCHEMBL26280829 0.79 KDM4E (0.32) DRD2DRD4DRD3SLC6A4
SCHEMBL24079843 0.78 MEN1 (0.33) —
SCHEMBL23486715 0.76 ADH1B (0.33) —
SCHEMBL20870847 0.75 SIGMAR1 (0.36) —

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-2019063952-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIVERSITE PARIS-SUD (FR) 2019-04-04 — — WO disclosed
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