SCHEMBL9759407

SCHEMBL9759407

CC1=NOC2C3CCC(C12)C1C(=O)N(CCCCN2CCN(c4ncccn4)CC2)C(=O)C31

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
HTR1A P08908 1/20 0.60
DRD4 P21917 1/20 0.60
HTR2A P28223 1/20 0.49

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
SCHEMBL9759315 0.85 HTR1A (0.48) HTR1A
SCHEMBL9527937 0.83 DRD2 (0.76) DRD2HTR1ADRD4
SCHEMBL9526969 0.81 DRD2 (0.76) DRD2HTR1ADRD4
SCHEMBL20043775 0.80 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL9492470 0.80 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL9527393 0.78 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL17264052 0.78 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL10788382 0.78 DRD2 (0.74) DRD2HTR1ADRD4HTR2A
SCHEMBL9759513 0.77 HTR1A (0.48) HTR1A
SCHEMBL10925913 0.77 DRD2 (0.90) DRD2HTR1ADRD4

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
US-5053508-A Anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-10-01 US claimed
US-5053508-A Anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-10-01 US disclosed