SCHEMBL8301915

SCHEMBL8301915

COc1cc2ccn(C(=O)c3ccc(Br)c(C)c3)c2cc1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.57
HTR1B P28222 5/20 0.57
HTR2A P28223 3/20 0.57
HTR6 P50406 5/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.39
TUBB1 Q9H4B7 1/20 0.39
TMPRSS2 O15393 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAPK1 P28482 1/20 0.38
HTR1A P08908 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL8125410 0.84 HTR1D (0.59) HTR1DHTR1BHTR2AHTR6HTR1A
SCHEMBL8302847 0.78 HTR1D (0.59) HTR1DHTR1BHTR2AMAPTTUBB1
SCHEMBL8307059 0.76 HTR1D (0.65) HTR1DHTR1BHTR2AMAPTLMNA
SCHEMBL7803371 0.73 HTR1D (1.00) HTR1DHTR1BHTR2AHTR6MAPT
SCHEMBL9089296 0.72 HTR1D (0.71) HTR1DHTR1BHTR2ATMPRSS2SLC6A4
SCHEMBL6817232 0.72 HTR1D (0.67) HTR1DHTR1BHTR2AHTR6MAPT
SCHEMBL8985970 0.71 HTR1D (0.92) HTR1DHTR1BHTR2AHTR6MAPT
SCHEMBL8143971 0.70 ALDH1A1 (0.41) HTR1DHTR1BHTR2AHTR6MAPT
SCHEMBL6817268 0.70 HTR1D (0.61) HTR1DHTR1BHTR2AHTR6MAPT
SCHEMBL849340 0.69 HPGD (0.59) HTR1DHTR1BHTR2AALDH1A1LMNA

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 7 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-A1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-19 EP claimed
WO-1995006637-A1 INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-03-09 WO 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