SCHEMBL27463572

SCHEMBL27463572

OCCCCC1CCCCN1c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY5R Q15761 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
HTR7 P34969 1/20 0.38
CHI3L1 P36222 1/20 0.37
NOS2 P35228 1/20 0.37
SORD Q00796 1/20 0.36
SYK P43405 1/20 0.36
GRM1 Q13255 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MMP1 P03956 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL9673839 0.81 HTR7 (0.51) HTR7
SCHEMBL8326245 0.80 SYK (0.48) CCNE1CDK2CHI3L1SYK
SCHEMBL8326248 0.80 SYK (0.48) CCNE1CDK2CHI3L1SYK
SCHEMBL7364016 0.77 MEN1 (0.40) ALDH1A1NPY5R
SCHEMBL28140950 0.75 FFAR1 (0.44) NPY5R
SCHEMBL28811056 0.75 CHI3L1 (0.46) ALDH1A1KDM4EHSD17B10CHI3L1
SCHEMBL28811057 0.75 CHI3L1 (0.46) ALDH1A1KDM4EHSD17B10CHI3L1
SCHEMBL10637154 0.74 HRH3 (0.45) CCNE1CDK2CDK5CHI3L1
SCHEMBL6963258 0.72 MEN1 (0.40) ALDH1A1NPY5R
SCHEMBL3646618 0.71 CHI3L1 (0.41) ALDH1A1KDM4EHSD17B10HTR7CHI3L1

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-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN disclosed