SCHEMBL6984768

SCHEMBL6984768

COC(=O)CNc1ccnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
FERMT2 Q96AC1 1/20 0.54
HDAC6 Q9UBN7 1/20 0.52
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.48
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GAK O14976 1/20 0.46
RIPK2 O43353 1/20 0.46
COQ8A Q8NI60 1/20 0.46

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
SCHEMBL29362282 0.83 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL1520512 0.83 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL28069310 0.82 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL12212945 0.78 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL6977349 0.78 MEN1 (0.55) HDAC6MEN1KMT2AHTTLMNA
SCHEMBL24928102 0.77 FAP (0.63) MEN1KMT2A
SCHEMBL7837169 0.77 PTPN1 (0.61) HTR1AADRA1DADRA1AADRA1BHDAC6
SCHEMBL19617468 0.76 HDAC6 (0.72) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL6223282 0.76 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923436 0.76 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2

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-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed