SCHEMBL7006178

SCHEMBL7006178

CC(c1cn([Si](C)(C)C(C)(C)C)c2ccc(Br)cc12)C1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.32
PIM1 P11309 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6510985 0.78 PDE4B (0.33)
SCHEMBL1697462 0.77 PRPS1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL7473942 0.76 PRPS1 (0.34) CDC7PIM1CSNK2BCSNK2A1SLC6A2
SCHEMBL7481653 0.76 CNR2 (0.39)
SCHEMBL7006184 0.74 SLC6A4 (0.36) CDC7PIM1CSNK2BCSNK2A1SLC6A4
SCHEMBL7470825 0.74 HTR1A (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL6968879 0.73 DYRK1A (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL7472995 0.72 HTR6 (0.48)
SCHEMBL7478883 0.71 CYP19A1 (0.35) CSNK2A1
SCHEMBL1697454 0.69 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3

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