SCHEMBL28932930

SCHEMBL28932930

CC(C)(C)OC(=O)N1CC(C(=O)Nc2cc3ccccc3cn2)C(c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.55
PDE4B Q07343 4/20 0.48
RORC P51449 1/20 0.48
ABL1 P00519 4/20 0.45
DEGS1 O15121 1/20 0.42
TNF P01375 1/20 0.41
USP30 Q70CQ3 2/20 0.41
USP7 Q93009 1/20 0.41
NOTUM Q6P988 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL29900688 1.00 TACR1 (0.55) TACR1PDE4BRORCABL1DEGS1
SCHEMBL23951729 1.00 TACR1 (0.55) TACR1PDE4BRORCABL1DEGS1
SCHEMBL23923854 0.87 ABL1 (0.48) ABL1DEGS1GSK3BDYRK1ATRPV1
SCHEMBL23923853 0.87 ABL1 (0.48) ABL1DEGS1GSK3BDYRK1ATRPV1
SCHEMBL10165990 0.86 GSK3B (0.52) TACR1ABL1USP30GSK3BDYRK1A
SCHEMBL23951809 0.83 TACR1 (0.51) TACR1PDE4BRORCTNFUSP30
SCHEMBL29900568 0.83 TACR1 (0.51) TACR1PDE4BRORCTNFUSP30
SCHEMBL23951495 0.82 TACR1 (0.61) TACR1PDE4BRORCABL1DEGS1
SCHEMBL23951349 0.81 TACR1 (0.54) TACR1PDE4BRORCUSP30USP7
SCHEMBL28932924 0.81 TACR1 (0.54) TACR1PDE4BRORCUSP30USP7

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-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed