SCHEMBL7015948

SCHEMBL7015948

CCOC(=O)Nc1ccc2[nH]cc(C3=CCN(CC)CC3)c2n1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.79
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 2/20 0.40
HTR1A P08908 3/20 0.39
HTR2A P28223 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR6 P50406 1/20 0.39
HTR4 Q13639 1/20 0.39
DRD2 P14416 2/20 0.39

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
SCHEMBL7008686 0.88 HTR1F (1.00) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7014571 0.86 HTR1F (0.80) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7007093 0.84 HTR1F (0.83) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7013847 0.83 HTR1F (1.00) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7015971 0.81 HTR1F (0.73) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7014886 0.81 HTR1F (0.73) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7011728 0.80 HTR1F (0.71) HTR1FKDM4ELMNAALOX15MAPT
SCHEMBL7012793 0.77 HTR1F (0.76) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7009825 0.76 HTR1F (0.66) HTR1FKDM4ELMNAALOX15MAPT
SCHEMBL7011170 0.76 HTR1F (0.65) HTR1FKDM4ELMNAALOX15MAPT

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
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
US-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed