SCHEMBL8485654

SCHEMBL8485654

CC(=O)OC1CCOc2c(N)cccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
TDP1 Q9NUW8 2/20 0.34
CHRM4 P08173 2/20 0.33
DRD2 P14416 2/20 0.33
HTR7 P34969 2/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
PARP1 P09874 1/20 0.31
ACHE P22303 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
BCHE P06276 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL8478242 0.79 POLB (0.41) POLBTDP1KDM4ESMN1; SMN2CYP1A2
SCHEMBL6585844 0.78 TRPV1 (0.36) DRD2SMN1; SMN2
SCHEMBL9785817 0.77 POLB (0.44) POLBCHRM4DRD2HTR7KDM4E
SCHEMBL30812977 0.77 POLB (0.44) POLBCHRM4DRD2HTR7KDM4E
SCHEMBL11084894 0.75 S1PR1 (0.40) POLBCHRM4DRD2HTR7SMN1; SMN2
SCHEMBL6585849 0.74 BRD4 (0.40)
SCHEMBL30168994 0.73 P2RX7 (0.46)
SCHEMBL6583942 0.73 NOTUM (0.36) CHRM4DRD2HTR7ACHEBCHE
SCHEMBL8563821 0.72 HTR1A (0.35) DRD2ACHE
SCHEMBL9976868 0.71 POLB (0.55) POLBCHRM4DRD2HTR7KDM4E

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
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US disclosed