SCHEMBL25166342

SCHEMBL25166342

CC1(C)OB(C2=CCNCCC2)OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.61
MAPK1 P28482 1/20 0.49

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 SCHEMBL31645848 0.98 P2RX7 (0.59) P2RX7MAPK1
SCHEMBL457989 0.89 P2RX7 (0.55) P2RX7MAPK1
Hydrochloric Acid SCHEMBL2631288 0.88 P2RX7 (0.53) P2RX7MAPK1
SCHEMBL12791545 0.78 P2RX7 (0.48) P2RX7MAPK1
Hydrochloric Acid SCHEMBL29043350 0.77 P2RX7 (0.47) P2RX7MAPK1
Trifluoroacetic Acid SCHEMBL29672463 0.76 F2 (0.42) P2RX7MAPK1
Trifluoroacetic Acid SCHEMBL4111685 0.76 F2 (0.42) P2RX7MAPK1
SCHEMBL169762 0.76 P2RX7 (1.00) P2RX7MAPK1
SCHEMBL13282658 0.75 P2RX7 (0.55) P2RX7MAPK1
SCHEMBL422542 0.74 P2RX7 (0.89) P2RX7MAPK1

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
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed