SCHEMBL7767462

SCHEMBL7767462

CCCC1C=C(C(C)(C)C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTR5A P47898 1/20 0.30

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
SCHEMBL6401816 0.84 HTR6 (0.33) HTR6BCHEACHE
SCHEMBL28735638 0.78 HTR6 (0.31) HTR6
SCHEMBL27361895 0.77 HTR6 (0.39) HTR6BCHEACHEHTR5A
SCHEMBL27461742 0.75 HTR6 (0.48) HTR6BCHEACHEHTR5A
SCHEMBL7455581 0.74 HTR6 (0.54) HTR6BCHEACHEHTR5A
SCHEMBL27352473 0.72 PTPN1 (0.37) HTR6BCHEACHEHTR5A
SCHEMBL5702854 0.72 HTR6 (0.36) HTR6BCHEACHEHTR5A
SCHEMBL9550604 0.72 GPR3 (0.34)
SCHEMBL27521099 0.71 HTR6 (0.35) HTR6BCHEACHE
SCHEMBL7863731 0.71 GPR3 (0.38) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722949-B1 Process for the preparation of cyclopentadienyl compounds and compounds obtained therefrom BASELL TECHNOLOGY CO BV (NL) 2001-07-04 EP claimed
EP-0751946-A1 METALLOCENE COMPOUNDS, PROCESS FOR THEIR PREPRATION, AND THEIR USE IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1997-01-08 EP disclosed
WO-1996022995-A1 METALLOCENE COMPOUNDS, PROCESS FOR THEIR PREPRATION, AND THEIR USE IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1996-08-01 WO disclosed