SCHEMBL6966491

SCHEMBL6966491

CCn1ncc(-c2ccc3c(c2)c(C2=CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.69
HTR1B P28222 15/20 0.69
KCNH2 Q12809 1/20 0.68
DRD4 P21917 3/20 0.53
DRD3 P35462 3/20 0.53
DRD2 P14416 2/20 0.51
HTR2C P28335 2/20 0.51
HRH1 P35367 2/20 0.51

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
SCHEMBL6961093 0.93 KCNH2 (0.70) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6953768 0.88 KCNH2 (0.72) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6968255 0.88 KCNH2 (0.73) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6966610 0.87 HTR1A (0.69) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6961072 0.87 KCNH2 (0.68) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6967386 0.86 KCNH2 (0.71) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6957072 0.86 KCNH2 (0.73) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6961378 0.85 KCNH2 (0.72) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6965636 0.85 KCNH2 (0.72) HTR1AHTR1BKCNH2DRD4DRD3
SCHEMBL6966424 0.85 KCNH2 (0.74) HTR1AHTR1BKCNH2DRD4DRD3

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 6 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 claimed
EP-1068198-B1 5-HETEROARYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2003-05-28 EP claimed
EP-1068198-A1 5-HETEROARYL SUBSTITUTED INDOLES H.Lundbeck A/S (DK) 2001-01-17 EP claimed
WO-1999046259-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 1999-09-16 WO claimed
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