SCHEMBL9869321

SCHEMBL9869321

CCCCN1CCC(C#N)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
GLB1 P16278 1/20 0.40
GBA1 P04062 1/20 0.40
SIGMAR1 Q99720 7/20 0.39

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
SCHEMBL30379435 1.00 GNAI3 (0.41) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL6920677 0.95 GNAO1 (0.47) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL17351087 0.93 GNAO1 (0.50) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL16625964 0.89 BCHE (0.44) DRD2DRD3
SCHEMBL27756873 0.89 GNAO1 (0.47) GNAI3GNAO1GNAI1DRD2DRD3
SCHEMBL27282631 0.89 L3MBTL3 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27282016 0.89 L3MBTL3 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9871152 0.89 L3MBTL3 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10511195 0.88 BCHE (0.40) L3MBTL3
SCHEMBL29532370 0.83 GNAO1 (0.55) GNAI3GNAO1GNAI1SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419527-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
WO-2023067355-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
US-5063228-A 4-(substitutedaminoethyl)-3,4-dihydro-2-alkylpyrimido[1,6-a]benzimidazol-1(2H)-ones as antiarrhythmic agents A. H. ROBBINS COMPANY, INCORPORATED (US) 1991-11-05 US disclosed