SCHEMBL26102494

SCHEMBL26102494

CN(C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCN(C(=O)O)C[C@H]1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.37
NPY5R Q15761 1/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
CHRM4 P08173 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOTUM Q6P988 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
SCHEMBL26101492 0.77 GPR119 (0.50) GPR119
SCHEMBL26101487 0.77 GPR119 (0.50) GPR119
SCHEMBL26101572 0.72 AKR1C3 (0.39) DRD2DRD4ALDH1A1MAPTGPR119
SCHEMBL14720297 0.70 LIMK2 (0.48) KMT2A
SCHEMBL21541880 0.68 SLC6A2 (0.46) NPY5RDRD2DRD4MAPTKMT2A
SCHEMBL26101920 0.67 USP2 (0.39) DRD2DRD4ALDH1A1MAPTHPGD
SCHEMBL26103184 0.66 SLC6A2 (0.43) KDM4EALDH1A1MAPTHPGDMCL1
SCHEMBL26101451 0.66 SLC6A2 (0.43) KDM4EALDH1A1MAPTHPGDMCL1
SCHEMBL14720344 0.66 OPRM1 (0.42) KDM4EALDH1A1
SCHEMBL346162 0.66 CHRM4 (0.43) NPY5RDRD2DRD4CHRM4ALDH1A1

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-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed