SCHEMBL8302018

SCHEMBL8302018

COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.82
HTR1B P28222 11/20 0.82
HTR2A P28223 3/20 0.71
MAPT P10636 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
MAPK1 P28482 3/20 0.66
SLC6A4 P31645 3/20 0.66
TP53 P04637 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
TSHR P16473 2/20 0.66
HTR2C P28335 2/20 0.66
CYP2C19 P33261 2/20 0.66
THPO P40225 2/20 0.66
HTR1A P08908 2/20 0.66
HTR3E A5X5Y0 1/20 0.66
HTR3B O95264 1/20 0.66

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
SCHEMBL8304096 0.92 HTR1D (0.80) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL6603530 0.90 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL6603527 0.90 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL6603417 0.88 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL6603418 0.88 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL8307059 0.83 HTR1D (0.65) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL6928454 0.83 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL8792752 0.81 HTR1D (0.66) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL5457364 0.80 HTR1D (0.64) HTR1DHTR1BHTR2AMAPTMEN1
Gr-127935 SCHEMBL29462286 0.80 HTR1D (1.00) HTR1DHTR1BHTR2AMAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716650-B1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-03-24 EP claimed
EP-0716650-B1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-03-24 EP disclosed
US-5696122-A Indole and indoline derivatives as 5HT1D receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-09 US disclosed
EP-0716650-A1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-19 EP disclosed
WO-1995006637-A1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-03-09 WO disclosed