SCHEMBL24005484

SCHEMBL24005484

COC(=O)N1CCN(C)C(c2ccccc2C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
KIF11 P52732 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CYP3A4 P08684 5/20 0.36
LPAR1 Q92633 2/20 0.36
P2RY12 Q9H244 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HTR7 P34969 1/20 0.35
CYP2C19 P33261 3/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL24005504 0.86 P2RX7 (0.41) P2RX7ITGB2ICAM1ITGALCYP3A4
SCHEMBL25480482 0.84 ITGB2 (0.36) ITGB2ICAM1ITGALKIF11IRAK4
SCHEMBL25629272 0.84 ITGB2 (0.38) ITGB2ICAM1ITGALKIF11IRAK4
SCHEMBL25478789 0.84 P2RX7 (0.40) P2RX7KIF11CYP3A4MEN1KMT2A
SCHEMBL25479247 0.82 ALDH1A1 (0.49) MEN1KMT2A
SCHEMBL25628689 0.81 ITGB2 (0.36) ITGB2ICAM1ITGALKIF11IRAK4
SCHEMBL24005860 0.77 HTR2A (0.42) CYP3A4MEN1KMT2ACYP2D6CYP2C9
SCHEMBL25492873 0.77 ITGB2 (0.37) ITGB2ICAM1ITGALKIF11IRAK4
SCHEMBL25492876 0.74 HTR7 (0.39) HTR7L3MBTL1
SCHEMBL25480477 0.74 HRH3 (0.33) CYP2D6

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-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed