SCHEMBL23906938

SCHEMBL23906938

CC(C)(C)OC(=O)N1CC2NC(C1)C1CC21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.51
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PREP P48147 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL15313304 0.89 NR1H2 (0.53) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL28840060 0.84 NR1H2 (0.49) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL21913758 0.84 NR1H2 (0.49) NR1H2USP2SMN1; SMN2KDM4ECHRM2
Hydrochloric Acid SCHEMBL29596834 0.83 NR1H2 (0.47) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL29344011 0.82 NR1H2 (0.48) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL23231374 0.82 NR1H2 (0.48) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL25409415 0.80 NR1H2 (0.56) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL1979623 0.80 NR1H2 (0.56) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL994561 0.80 NR1H2 (0.56) NR1H2USP2SMN1; SMN2KDM4ECHRM2
SCHEMBL16759817 0.79 NR1H2 (0.58) NR1H2USP2SMN1; SMN2KDM4ECHRM2

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-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — WO disclosed
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