SCHEMBL20119084

SCHEMBL20119084

CCCN1CCN(CC)CCN(C)CCN(CC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
GAA P10253 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SLC2A1 P11166 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17299334 0.92 PIK3CD (0.45) PIK3CDGAAKDM4ESLC2A1TSHR
SCHEMBL13494144 0.88 PIK3CD (0.48) PIK3CDHRH2HRH1DRD2SIGMAR1
SCHEMBL22300882 0.83 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL7907337 0.83 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL22013047 0.83 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL101927 0.83 PIK3CD (0.52) PIK3CDGAAKDM4ESLC2A1TSHR
SCHEMBL14328666 0.83 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL6660808 0.78 DRD2 (0.46) DRD2SIGMAR1ALDH1A1
SCHEMBL17586500 0.78 DRD2 (0.46) DRD2SIGMAR1
SCHEMBL2318531 0.78 DRD2 (0.46) DRD2SIGMAR1

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
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed