SCHEMBL6960967

SCHEMBL6960967

Cn1nnc(-c2ccc3[nH]cc(C4=CCN(CCN5CCNC5=O)CC4)c3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
HTR1A P08908 3/20 0.48
DRD4 P21917 2/20 0.48
HTR2C P28335 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1B P28222 1/20 0.48
HRH1 P35367 1/20 0.48
KCNH2 Q12809 1/20 0.44
SLC6A4 P31645 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL6965995 0.81 KCNH2 (0.61) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6966989 0.80 KCNH2 (0.71) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6958224 0.79 HTR1A (0.66) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6962306 0.75 KDM4E (0.55) DRD2HTR2CHTR1BHTR6
SCHEMBL6961072 0.74 KCNH2 (0.68) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6967386 0.69 KCNH2 (0.71) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6961093 0.69 KCNH2 (0.70) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6960363 0.69 KCNH2 (0.70) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6953768 0.68 KCNH2 (0.72) DRD2HTR1ADRD4HTR2CDRD3
SCHEMBL6961378 0.68 KCNH2 (0.72) DRD2HTR1ADRD4HTR2CDRD3

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 4 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
EP-1068198-A1 5-HETEROARYL SUBSTITUTED INDOLES H.Lundbeck A/S (DK) 2001-01-17 EP disclosed
WO-1999046259-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 1999-09-16 WO disclosed