SCHEMBL31210071

SCHEMBL31210071

CCC=Cn1ccc2cccc(C)c21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ P2RX7 Q99572 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL28910299 0.75 ADRA2A (0.36) ADRA2AADRA2BADRA2CP2RX7SLC6A2
SCHEMBL31210079 0.74 CDK4 (0.42) SLC6A2SLC6A4
SCHEMBL5667509 0.74 CDK4 (0.42) SLC6A2SLC6A4
SCHEMBL11081014 0.69 ADRA2A (0.50) ADRA2AADRA2BADRA2CP2RX7SLC6A2
SCHEMBL30109166 0.66 MEN1 (0.41) ADRA2AADRA2BADRA2CP2RX7SLC6A2
SCHEMBL436336 0.66 MEN1 (0.41) ADRA2AADRA2BADRA2CP2RX7SLC6A2
SCHEMBL24701710 0.65 ADRA2A (0.39) ADRA2AADRA2BADRA2CP2RX7SLC6A2
SCHEMBL28018765 0.65 ADRA2A (0.39) ADRA2AADRA2BADRA2CP2RX7SLC6A2
SCHEMBL28016128 0.65 ADRA2A (0.39) ADRA2AADRA2BADRA2CP2RX7SLC6A2
SCHEMBL15241791 0.65 ADRA2A (0.39) ADRA2AADRA2BADRA2CP2RX7SLC6A2

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
CN-118684700-A Silyl substituted pyrroloindole derivative and synthetic method and application thereof 赣南医科大学 2024-09-24 — — CN disclosed
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