SCHEMBL8723759

SCHEMBL8723759

CCN(CC)CCN(CCN(CC)CC)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
TSHR P16473 1/20 0.41
KCNH2 Q12809 3/20 0.40
DRD3 P35462 3/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRM1 P35372 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
HTT P42858 2/20 0.37
LTA4H P09960 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
SCHEMBL9619532 0.96 SIGMAR1 (0.44) SIGMAR1TSHRKCNH2DRD3CHRM1
SCHEMBL10733880 0.94 SIGMAR1 (0.43) SIGMAR1TSHRKCNH2DRD3CHRM1
SCHEMBL2879292 0.92 KCNH2 (0.47) SIGMAR1TSHRKCNH2DRD3CHRM1
SCHEMBL1068540 0.88 CYP3A4 (0.39) TSHRKCNH2DRD3CHRM1DRD1
SCHEMBL5039661 0.86 HTR1A (0.42) SIGMAR1DRD3DRD1OPRM1HTR1A
SCHEMBL18213635 0.86 HTR1A (0.42) SIGMAR1DRD3DRD1OPRM1HTR1A
SCHEMBL8773594 0.85 SIGMAR1 (0.50) SIGMAR1KCNH2DRD3CHRM1DRD1
SCHEMBL5033519 0.83 MEN1 (0.45) KCNH2DRD3CHRM1DRD1SLC6A2
SCHEMBL11814633 0.80 SIGMAR1 (0.44) SIGMAR1TSHRKCNH2DRD3CHRM1
SCHEMBL19753210 0.79 KDM4E (0.40) SIGMAR1KCNH2DRD3CHRM1DRD1

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-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed