SCHEMBL7203880

SCHEMBL7203880

Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 1.00
HTR1B P28222 17/20 1.00
DRD4 P21917 5/20 1.00
DRD3 P35462 5/20 1.00
DRD2 P14416 2/20 0.79
HTR2C P28335 2/20 0.79
HRH1 P35367 2/20 0.79

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
SCHEMBL6960464 0.90 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6962448 0.88 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
Hydrochloric Acid SCHEMBL6962401 0.88 HTR1A (0.98) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6962059 0.88 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL7203413 0.87 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6961185 0.86 HTR1A (0.87) HTR1AHTR1BDRD4DRD3DRD2
Hydrochloric Acid SCHEMBL7077131 0.86 HTR1A (0.86) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6966976 0.86 HTR1A (0.85) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6967889 0.85 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL1135593 0.85 HTR1A (0.86) HTR1AHTR1BDRD4DRD3DRD2

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
US-6602889-B1 5-heteroaryl substituted indoles H. LUNDBECK A.S. (DK) 2003-08-05 US disclosed