SCHEMBL7972411

SCHEMBL7972411

O=C(NCC1CCN(CCCCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
GRIN2B Q13224 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
CCR3 P51677 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
HTR4 Q13639 2/20 0.41
GSK3B P49841 1/20 0.39
CHRM4 P08173 1/20 0.39
GLS O94925 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
Hydrochloric Acid SCHEMBL7985967 0.99 LTA4H (0.44) LTA4HGRIN2BSIGMAR1CCR3DRD4
SCHEMBL7989635 0.99 LTA4H (0.45) LTA4HGRIN2BSIGMAR1CCR3DRD4
Hydrochloric Acid SCHEMBL7973177 0.98 LTA4H (0.44) LTA4HGRIN2BSIGMAR1CCR3DRD4
SCHEMBL7982426 0.97 LTA4H (0.47) LTA4HGRIN2BDRD4HTR2AHTR4
Hydrochloric Acid SCHEMBL7971795 0.96 LTA4H (0.47) LTA4HGRIN2BDRD4HTR2AHTR4
SCHEMBL7981833 0.93 HTR4 (0.47) LTA4HSIGMAR1HTR2AHTR4GSK3B
Hydrochloric Acid SCHEMBL7986403 0.93 HTR4 (0.47) LTA4HHTR2AHTR4GSK3BHDAC3
SCHEMBL7990607 0.90 GRIN2B (0.41) LTA4HGRIN2BCCR3HTR2AHTR4
SCHEMBL7986487 0.89 LTA4H (0.42) LTA4HGRIN2BCCR3HTR2AHTR4
SCHEMBL7972913 0.89 LTA4H (0.42) LTA4HGRIN2BCCR3HTR4HDAC3

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed