SCHEMBL6966378

SCHEMBL6966378

O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 1.00
HTR1B P28222 16/20 1.00
DRD4 P21917 3/20 0.73
DRD3 P35462 3/20 0.73
DRD2 P14416 3/20 0.72
HTR2C P28335 3/20 0.72
HRH1 P35367 3/20 0.72
MLNR O43193 1/20 0.71
CACNA1F O60840 1/20 0.71
NR1I2 O75469 1/20 0.71
ABCB11 O95342 1/20 0.71
ABCB1 P08183 1/20 0.71
ADRB1 P08588 1/20 0.71
ADRA2A P08913 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CHRM1 P11229 1/20 0.71
ADRA2B P18089 1/20 0.71
ADRA2C P18825 1/20 0.71
CHRM3 P20309 1/20 0.71
MAOA P21397 1/20 0.71

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
SCHEMBL7200289 0.92 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6966976 0.90 HTR1A (0.85) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL7203413 0.88 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6960464 0.88 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL1135593 0.86 HTR1A (0.86) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6966385 0.86 HTR1A (0.84) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6599312 0.85 HTR1B (0.77) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL7198949 0.85 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6960339 0.84 HTR1A (1.00) HTR1AHTR1BDRD4DRD3DRD2
SCHEMBL6962059 0.84 HTR1A (1.00) 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 2 patents. 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
EP-1068198-B1 5-HETEROARYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2003-05-28 EP disclosed