SCHEMBL24324495

SCHEMBL24324495

CCCC(=O)NCc1cc(C)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL14393385 0.86 LMNA (0.52) HPGD
SCHEMBL29339265 0.83 CARM1 (0.45) P2RX7KDM4ERAB9A
SCHEMBL31359702 0.81 NPC1 (0.55) P2RX7HPGDCYP3A4CYP2C19L3MBTL1
SCHEMBL28171335 0.81 HPGD (0.44) HPGDCYP3A4CYP2C19L3MBTL1
SCHEMBL13104293 0.81 SETDB1 (0.56) P2RX7HPGDRAB9A
SCHEMBL1642608 0.81 MAPK8 (0.43) HPGDCYP3A4CYP2C19L3MBTL1KDM4E
SCHEMBL10202757 0.78 HPGD (0.45) P2RX7HPGDRAB9A
SCHEMBL28170737 0.78 P2RX7 (0.53) P2RX7
SCHEMBL3756353 0.77 NPC1 (0.40) P2RX7HPGDRAB9A
SCHEMBL24323193 0.77 HPGD (0.39) P2RX7HPGDRAB9A

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
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 EP disclosed