SCHEMBL27282016

SCHEMBL27282016

CCCN1CC[C@@H](C#N)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
DRD3 P35462 5/20 0.39
DRD2 P14416 5/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL9871152 1.00 L3MBTL3 (0.42) L3MBTL3HRH3DRD3DRD2CYP2D6
SCHEMBL27282631 1.00 L3MBTL3 (0.42) L3MBTL3HRH3DRD3DRD2CYP2D6
SCHEMBL30379435 0.89 GNAI3 (0.41) L3MBTL3DRD3DRD2DRD1DRD4
SCHEMBL9869321 0.89 GNAI3 (0.41) L3MBTL3DRD3DRD2DRD1DRD4
SCHEMBL13167818 0.88 HRH3 (0.45) HRH3DRD2
SCHEMBL6920677 0.87 GNAO1 (0.47) DRD3DRD2DRD1DRD4DRD5
SCHEMBL17351087 0.85 GNAO1 (0.50) DRD3DRD2DRD1DRD4DRD5
SCHEMBL24661958 0.83
SCHEMBL24662678 0.83
SCHEMBL9870758 0.83

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-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed