SCHEMBL8675381

SCHEMBL8675381

CC1=Cc2ccccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3cccc4cccnc34)cccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8679172 0.95 P2RX7 (0.38) P2RX7CCR1CCR5CCR8L3MBTL1
SCHEMBL8674272 0.91 P2RX7 (0.34) P2RX7CCR1CCR5CCR8L3MBTL1
SCHEMBL8674306 0.89 P2RX7 (0.34) P2RX7CCR1CCR5CCR8ALDH1A1
SCHEMBL8677041 0.86 P2RX7 (0.37) P2RX7CCR1CCR5CCR8L3MBTL1
SCHEMBL8674636 0.83 P2RX7 (0.35) P2RX7CCR1CCR5CCR8L3MBTL1
SCHEMBL8677005 0.83 P2RX7 (0.33) P2RX7
SCHEMBL8675882 0.83 P2RX7 (0.32) P2RX7
SCHEMBL8674351 0.82 P2RX7 (0.36) P2RX7CCR1CCR5CCR8L3MBTL1
SCHEMBL8679141 0.82 P2RX7 (0.35) P2RX7
Hydrochloric Acid SCHEMBL8674310 0.81 P2RX7 (0.33) P2RX7CCR1CCR5CCR8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US claimed
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US disclosed