SCHEMBL29240503

SCHEMBL29240503

Cc1ncccc1[C@@H](O)CCl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
RORC P51449 1/20 0.35
HRH1 P35367 1/20 0.34
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL29240506 1.00 P2RX7 (0.39) P2RX7RORCHRH1CYP2C19TSHR
SCHEMBL30325110 1.00 P2RX7 (0.39) P2RX7RORCHRH1CYP2C19TSHR
SCHEMBL30324716 1.00 P2RX7 (0.39) P2RX7RORCHRH1CYP2C19TSHR
SCHEMBL17681986 0.83 LMNA (0.41) P2RX7RORCHRH1CYP2C19TSHR
SCHEMBL17681956 0.83 LMNA (0.41) P2RX7RORCHRH1CYP2C19TSHR
SCHEMBL28336015 0.83 LMNA (0.41) P2RX7RORCHRH1CYP2C19TSHR
SCHEMBL27905466 0.81 P2RX7 (0.39) P2RX7RORCHRH1CYP2C19HIF1A
SCHEMBL11072786 0.78 P2RX7 (0.40) P2RX7HRH1GAAMKNK1MKNK2
SCHEMBL27707669 0.77 P2RX7 (0.42) P2RX7MKNK1MKNK2
SCHEMBL7464555 0.77 HIF1A (0.34) CYP2C19HIF1A

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-118265691-A Cyclohexylbeta-hydroxyalkylamines and their medical use 阿托基公司 2024-06-28 CN disclosed