SCHEMBL29348657

SCHEMBL29348657

O=C1NCCCC1c1cccc(-c2ccc(N3CCCCC3=O)nc2)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.59
CNR1 P21554 1/20 0.41
KDM1A O60341 5/20 0.36
PARP1 P09874 1/20 0.34
KLKB1 P03952 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR3 P22607 1/20 0.33
TDO2 P48775 1/20 0.32
ALOX5AP P20292 1/20 0.32

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
SCHEMBL29348994 0.87 CNR2 (0.59) CNR2CNR1PARP1
SCHEMBL31068267 0.87 CNR2 (0.59) CNR2CNR1PARP1
SCHEMBL31068290 0.74 CNR2 (0.47) CNR2CNR1KDM1A
SCHEMBL29348996 0.74 CNR2 (0.47) CNR2CNR1KDM1A
SCHEMBL31068116 0.74 CNR2 (0.47) CNR2CNR1
SCHEMBL29348644 0.74 CNR2 (0.47) CNR2CNR1
SCHEMBL29348285 0.72 DDB1 (0.41) CNR2
SCHEMBL31068362 0.71 CNR2 (0.40) CNR2ALOX5AP
SCHEMBL29348585 0.71 CNR2 (0.40) CNR2ALOX5AP
SCHEMBL31068179 0.71 CNR2 (0.43) CNR2CNR1

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed