SCHEMBL29349028

SCHEMBL29349028

O=C1CCC(c2cccc(-c3ccc(N4CCC(F)(F)CC4)cc3)c2Cl)C(O)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DRD4 P21917 1/20 0.32
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
TNKS O95271 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR6 P50406 1/20 0.31
IL1B P01584 1/20 0.31

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
SCHEMBL29349027 0.81 CRBN (0.41) CNR2BRD4CREBBPCRBNIKZF3
SCHEMBL31068251 0.81 CRBN (0.41) CNR2BRD4CREBBPCRBNIKZF3
SCHEMBL29348769 0.79 F10 (0.36)
SCHEMBL29348200 0.79 F10 (0.36)
SCHEMBL29348526 0.79 ROCK2 (0.35) CNR2BRD4CREBBPCD274CRBN
SCHEMBL29348449 0.76 CREBBP (0.46) BRD4CREBBP
SCHEMBL29348776 0.76 CNR2 (0.32) CNR2SRD5A1
SCHEMBL29348448 0.75 FFAR2 (0.34) BRD4CREBBPSRD5A1
SCHEMBL29348987 0.75 P2RX7 (0.34) DRD4P2RX7
SCHEMBL29348360 0.74 PDCD1LG2 (0.39) BRD4CREBBPCD274CRBN

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