SCHEMBL23976236

SCHEMBL23976236

COC1CCN(CCF)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
LTA4H P09960 2/20 0.35
KDM2B Q8NHM5 1/20 0.34
GRM2 Q14416 1/20 0.32
BACE1 P56817 1/20 0.32
AOC3 Q16853 1/20 0.32
CDC7 O00311 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ESR1 P03372 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
SCHEMBL12939844 0.89 KDM2B (0.40) LTA4HKDM2B
SCHEMBL24443851 0.89 ESR1 (0.38) GRIN1GRIN2BESR1
SCHEMBL9969576 0.89 KDM2B (0.40) LTA4HKDM2B
SCHEMBL16065870 0.88 LMNA (0.35) LTA4HAOC3
SCHEMBL25365601 0.84 ALOX15 (0.41) GRIN1GRIN2BLTA4HGRM2BACE1
SCHEMBL6827945 0.84 ALOX15 (0.41) GRIN1GRIN2BLTA4HGRM2BACE1
SCHEMBL25363068 0.84 ALOX15 (0.41) GRIN1GRIN2BLTA4HGRM2BACE1
SCHEMBL15685442 0.82 DRD2 (0.41)
SCHEMBL15133969 0.82 DRD2 (0.41)
SCHEMBL10152381 0.82 DRD2 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed