SCHEMBL30522909

SCHEMBL30522909

C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](c2ccc(Br)cc2)CN1.C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](c2ccc(Br)cc2)CN1C(=O)C1(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
RORC P51449 2/20 0.39
FPR2 P25090 5/20 0.34
FPR3 P25089 4/20 0.34
XIAP P98170 3/20 0.31
BIRC2 Q13490 3/20 0.31
SETD7 Q8WTS6 1/20 0.31
USP30 Q70CQ3 1/20 0.31
HSD11B1 P28845 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL25328285 0.92 NR1H2 (0.46) NR1H2NR1H3RORCFPR2FPR3
SCHEMBL25328288 0.92 NR1H2 (0.46) NR1H2NR1H3RORCFPR2FPR3
SCHEMBL30522902 0.91 RORC (0.36) NR1H2NR1H3RORCGPR119
SCHEMBL30522976 0.89 NR1H2 (0.39) NR1H2NR1H3RORCFPR2FPR3
SCHEMBL25326018 0.86 NR1H2 (0.47) NR1H2NR1H3RORCFPR2FPR3
SCHEMBL25326015 0.86 NR1H2 (0.47) NR1H2NR1H3RORCFPR2FPR3
SCHEMBL30523044 0.85 NR1H2 (0.41) NR1H2NR1H3RORCFPR2FPR3
SCHEMBL30522972 0.82 NR1H2 (0.47) NR1H2NR1H3RORCFPR2FPR3
SCHEMBL25326809 0.81 RORC (0.41) NR1H2NR1H3RORCGPR119
SCHEMBL25327901 0.81 RORC (0.41) NR1H2NR1H3RORCGPR119

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
EP-4469445-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed