SCHEMBL9015290

SCHEMBL9015290

CC(C)NC(C)c1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.53
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SGMS2 Q8NHU3 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SRD5A2 P31213 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EDNRA P25101 1/20 0.37
LTA4H P09960 1/20 0.37
PLA2G2A P14555 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CCR5 P51681 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
SCHEMBL9046244 0.85 HTR2A (0.48) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL6618364 0.81 HTR2A (0.53) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL6619002 0.80 HTR2A (0.50) HTR2ATDP1KMT2ASRD5A2ALDH1A1
SCHEMBL27472077 0.79 HTR2A (0.51) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL6315078 0.78 HTR2A (0.50) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL2072518 0.78 SLC6A4 (0.59) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28374945 0.77 HTR2A (0.63) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL10971276 0.77 HTR2A (0.49) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL27682948 0.77 HTR2A (0.51) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL9206148 0.76 HTR2A (0.66) HTR2AMAPTMAPK1MITFLMNA

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
US-5569661-A Process for the production of b-carbolines SCHERING AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
EP-0670837-B1 METHOD OF PREPARING BETA-CARBOLINES SCHERING AG (DE) 1996-10-16 EP disclosed
EP-0670837-A1 METHOD OF PREPARING -g(b)-CARBOLINES. SCHERING AG (DE) 1995-09-13 EP disclosed
US-5401854-A Process for the production of indole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
WO-1994012498-A1 METHOD OF PREPARING β-CARBOLINES SCHERING AKTIENGESELLSCHAFT (DE) 1994-06-09 WO disclosed