SCHEMBL7006185

SCHEMBL7006185

CC(C)(C)[Si](C)(C)n1cc(CCN2CCCC2)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.36
CNR2 P34972 4/20 0.36
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
BRD4 O60885 1/20 0.34
BCHE P06276 1/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7015831 0.80 HTR6 (0.43) HTR6HTR1DHTR1BHTR7HTR1A
SCHEMBL7006184 0.78 SLC6A4 (0.36) HTR6
SCHEMBL7010544 0.78 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL7012792 0.78 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL7010546 0.78 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL3413348 0.74 SMN1; SMN2 (0.33) KDM4E
SCHEMBL4142457 0.72 MAPT (0.34)
SCHEMBL4431649 0.70 HTR6 (0.52) HTR6
SCHEMBL6510985 0.70 PDE4B (0.33) HTR6ALOX15MAPK1
SCHEMBL3248439 0.69 HTR6 (0.51) HTR6

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-1098896-B1 5-BICYCLOINDOLE COMPOUNDS NPS ALLELIX CORP (CA) 2003-06-25 EP disclosed
US-6329390-B1 BIHETEROCYCLIC INDOLES AS ANALGESICS AND NERVOUS SYSTEM DISORDERS NPS ALLELIX CORP. (CA) 2001-12-11 US disclosed
EP-1098896-A1 5-BICYCLOINDOLE COMPOUNDS NPS Allelix Corp. (CA) 2001-05-16 EP disclosed
WO-2000004019-A1 5-BICYCLOINDOLE COMPOUNDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-01-27 WO disclosed