SCHEMBL28094151

SCHEMBL28094151

CCCCN(NCc1ccccc1)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
EPHX2 P34913 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL25354233 0.82 TSHR (0.40) KCNH2OPRM1DRD3CHRM2HTR1A
SCHEMBL9827950 0.75 KCNH2 (0.50) KCNH2OPRM1DRD3EPHX2SIGMAR1
SCHEMBL29447174 0.74 KCNH2 (0.49) KCNH2OPRM1DRD3EPHX2SIGMAR1
SCHEMBL8854666 0.72 CYP3A4 (0.50) KCNH2OPRM1DRD3CHRM2HTR1A
SCHEMBL10530227 0.72 CYP3A4 (0.42) KCNH2OPRM1DRD3CHRM2HTR1A
SCHEMBL26093384 0.71 CYP3A4 (0.45) EPHX2SIGMAR1KDM4ECYP3A4MAPT
SCHEMBL30689682 0.70 CYP3A4 (0.48) KCNH2OPRM1DRD3CHRM2HTR1A
SCHEMBL10938224 0.70 SIGMAR1 (0.41) KCNH2EPHX2CHRM2SIGMAR1KDM4E
SCHEMBL5985351 0.68 MAOA (0.58) CHRM2SIGMAR1TDP1
SCHEMBL24501680 0.67 IDO1 (0.46) KDM4ECYP3A4MAPTTDP1

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-103403845-B Method for forming capacitor structure and silicon etching liquid used for the same 富士胶片株式会社 2016-08-10 CN disclosed