SCHEMBL29116152

SCHEMBL29116152

NC(=O)OC1CCN(C(=O)C(F)(F)F)[C@H](c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.48
KDM1A O60341 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 2/20 0.35
BACE1 P56817 1/20 0.35
CHRM3 P20309 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL17964187 0.88 RIPK1 (0.51) RIPK1KDM1AESR1ESR2MEN1
SCHEMBL29891706 0.81 RIPK1 (0.54) RIPK1KDM1AESR1ESR2CHRM3
SCHEMBL27077252 0.76 RIPK1 (0.51) RIPK1KDM1AESR1ESR2EPHX2
SCHEMBL27077325 0.75 KDM1A (0.56) RIPK1KDM1AESR1ESR2
SCHEMBL1576663 0.74 RIPK1 (0.73) RIPK1ESR1ESR2EPHX2
SCHEMBL28171621 0.73 RIPK1 (0.67) RIPK1ESR1ESR2EPHX2BACE1
SCHEMBL29893426 0.72 RIPK1 (0.53) RIPK1KDM1AESR1ESR2EPHX2
SCHEMBL29116126 0.72 KDM1A (0.52) RIPK1KDM1AKMT2AEPHX2
SCHEMBL29891684 0.72 KDM1A (0.52) RIPK1KDM1AKMT2AEPHX2
SCHEMBL29892002 0.72 KDM1A (0.52) RIPK1KDM1AKMT2AEPHX2

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-117157285-A Pharmaceutical compounds as ubiquitin-specific protease 19 (USP 19) inhibitors 阿尔麦克探索有限公司 2023-12-01 CN disclosed