SCHEMBL9197820

SCHEMBL9197820

CC1CCC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.61
HTR1A P08908 2/20 0.61
DRD4 P21917 1/20 0.61
HTR2A P28223 1/20 0.60

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
SCHEMBL6866193 0.81 DRD2 (0.74) DRD2HTR1ADRD4HTR2A
SCHEMBL10788382 0.81 DRD2 (0.74) DRD2HTR1ADRD4HTR2A
SCHEMBL9589567 0.81 DRD2 (0.67) DRD2HTR1ADRD4
SCHEMBL9588981 0.80 DRD2 (0.73) DRD2HTR1ADRD4
SCHEMBL10836726 0.80 DRD2 (0.73) DRD2HTR1ADRD4
Hydrochloric Acid SCHEMBL10836159 0.80 DRD2 (0.74) DRD2HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL6860521 0.79 DRD2 (0.73) DRD2HTR1ADRD4HTR2A
SCHEMBL9600546 0.79 DRD2 (0.68) DRD2HTR1ADRD4
Hydrochloric Acid SCHEMBL10836083 0.79 DRD2 (0.73) DRD2HTR1ADRD4
SCHEMBL7666898 0.78 DRD2 (0.67) DRD2HTR1ADRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673375-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013659-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed