SCHEMBL27208751

SCHEMBL27208751

O=c1c(CCc2ccccc2)ccnn1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.60
DRD2 P14416 7/20 0.60
DRD3 P35462 7/20 0.60
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.49
ALPL P05186 3/20 0.48
ALPI P09923 3/20 0.48
ALPG P10696 3/20 0.48
CHRM2 P08172 2/20 0.46
CHRM3 P20309 2/20 0.46

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
Hydrochloric Acid SCHEMBL23531638 0.99 DRD4 (0.59) DRD4DRD2DRD3KMT2APOLB
SCHEMBL23531601 0.84 DRD4 (0.64) DRD4DRD2DRD3KMT2APOLB
SCHEMBL23531627 0.81 DRD4 (0.69) DRD4DRD2DRD3KMT2APOLB
SCHEMBL23531579 0.81 CCR3 (0.47) DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL23531581 0.81 DRD4 (0.67) DRD4DRD2DRD3KMT2APOLB
Hydrochloric Acid SCHEMBL23531646 0.80 CCR3 (0.46) DRD2
SCHEMBL23531676 0.79 DRD4 (0.58) DRD4DRD2DRD3KMT2APOLB
Hydrochloric Acid SCHEMBL23531621 0.78 DRD4 (0.57) DRD4DRD2DRD3KMT2APOLB
SCHEMBL23531613 0.78 DRD4 (0.57) DRD4DRD2DRD3KMT2APOLB
SCHEMBL27208766 0.78 DRD4 (0.63) DRD4DRD2DRD3KMT2APOLB

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-4077310-B1 SIGMA-1 RECEPTOR LIGANDS AND USES THEREOF UNIV STRASBOURG (FR) 2024-05-01 EP claimed