SCHEMBL29348996

SCHEMBL29348996

O=C1CCC(c2cccc(-c3ccc(N4CCCOC4=O)nc3)c2Cl)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.47
DDB1 Q16531 6/20 0.39
CRBN Q96SW2 6/20 0.39
CNR1 P21554 1/20 0.37
KDM1A O60341 2/20 0.37
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
EED O75530 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36

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
SCHEMBL31068290 1.00 CNR2 (0.47) CNR2DDB1CRBNCNR1KDM1A
SCHEMBL29348994 0.86 CNR2 (0.59) CNR2DDB1CRBNCNR1BRD4
SCHEMBL31068267 0.86 CNR2 (0.59) CNR2DDB1CRBNCNR1BRD4
SCHEMBL29348432 0.86 DDB1 (0.39) CNR2DDB1CRBNKDM1A
SCHEMBL29348576 0.84 DDB1 (0.38) CNR2DDB1CRBNCNR1BRD4
SCHEMBL31068103 0.84 DDB1 (0.38) CNR2DDB1CRBNCNR1BRD4
SCHEMBL31068116 0.84 CNR2 (0.47) CNR2DDB1CRBNCNR1BRD4
SCHEMBL29348569 0.84 DDB1 (0.39) CNR2DDB1CRBNCNR1BRD4
SCHEMBL31068395 0.84 DDB1 (0.39) CNR2DDB1CRBNCNR1BRD4
SCHEMBL29348644 0.84 CNR2 (0.47) CNR2DDB1CRBNCNR1BRD4

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