SCHEMBL29175236

SCHEMBL29175236

CC(C)(C)OC(=O)NCCCn1ccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CNR2 P34972 1/20 0.41
FPR3 P25089 2/20 0.41
FPR2 P25090 2/20 0.41
CAMK2D Q13557 1/20 0.41

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
SCHEMBL25381100 0.80 CAMK2D (0.48) DRD2TDP1MEN1GAAKMT2A
SCHEMBL13712849 0.79 TDP1 (0.54) DRD2TDP1MEN1GAAKMT2A
SCHEMBL30786394 0.78 TDP1 (0.44) DRD2TDP1MEN1GAAKMT2A
SCHEMBL19027921 0.78 CA1 (0.44) DRD2TDP1MEN1GAAKMT2A
SCHEMBL28559165 0.76 DRD2 (0.52) DRD2TDP1GAACA12CA1
SCHEMBL19027486 0.75 DRD2 (0.45) DRD2TDP1MEN1GAAKMT2A
SCHEMBL22290618 0.75 DRD2 (0.43) DRD2TDP1MEN1GAAKMT2A
SCHEMBL20649129 0.74 NPC1 (0.58) TDP1MEN1GAAKMT2AFPR3
SCHEMBL22290511 0.74 DRD2 (0.45) DRD2TDP1MEN1GAAKMT2A
SCHEMBL14221815 0.74 DRD2 (0.42) DRD2TDP1MEN1GAAKMT2A

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
CN-117486888-A Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2024-02-02 CN disclosed