SCHEMBL23976235

SCHEMBL23976235

COC1CCN(CC(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
BACE1 P56817 1/20 0.34
GRM2 Q14416 1/20 0.32
POLB P06746 1/20 0.31
KCNH2 Q12809 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
ADORA2A P29274 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
SCHEMBL17308201 1.00 LTA4H (0.34) LTA4HGRIN1GRIN2BBACE1GRM2
SCHEMBL15806912 0.88 KCNH2 (0.34) LTA4HKCNH2
SCHEMBL22725369 0.82 PIK3CD (0.42) LTA4H
SCHEMBL14706858 0.82 PIK3CD (0.42) LTA4H
SCHEMBL16803019 0.82 PIK3CD (0.42) LTA4H
SCHEMBL17306143 0.81 HRH3 (0.31)
SCHEMBL24702297 0.80
SCHEMBL23206109 0.79 LTA4H (0.33) LTA4H
SCHEMBL19617151 0.79 LTA4H (0.33) LTA4HPER2CRY1CRY2
SCHEMBL23158260 0.79 LTA4H (0.33) LTA4HBACE1

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