SCHEMBL8674535

SCHEMBL8674535

CCC1=Cc2c(-c3cccc4cccnc34)cccc2C1[Zr](C)(C)(=[SiH2])C1C(C)=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL8679143 0.99 P2RX7 (0.34) P2RX7
SCHEMBL8676446 0.91 P2RX7 (0.31) P2RX7
Hydrochloric Acid SCHEMBL8677350 0.90 P2RX7 (0.30) P2RX7
Hydrochloric Acid SCHEMBL8674310 0.90 P2RX7 (0.33) P2RX7CCR1CCR5CCR8L3MBTL1
Hydrochloric Acid SCHEMBL8675792 0.89 CCR1 (0.34) P2RX7CCR1CCR5CCR8L3MBTL1
SCHEMBL8676034 0.85 P2RX7 (0.31) P2RX7
Hydrochloric Acid SCHEMBL8675887 0.85 P2RX7 (0.31) P2RX7
SCHEMBL8679141 0.85 P2RX7 (0.35) P2RX7
SCHEMBL8676538 0.85 P2RX7 (0.32) P2RX7
Hydrochloric Acid SCHEMBL8676131 0.85 P2RX7 (0.30) P2RX7

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

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