SCHEMBL8633897

SCHEMBL8633897

CCCC(N1CCN(c2ccncc2)CC1)S(=O)(=O)N(CC1CCNCC1)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
CHRM1 P11229 6/20 0.33
ITGB3 P05106 5/20 0.33
ITGA2B P08514 5/20 0.33
MMP2 P08253 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
F10 P00742 2/20 0.32
PDGFRA P16234 1/20 0.31
FLT3 P36888 1/20 0.31
MELK Q14680 1/20 0.31
HASPIN Q8TF76 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
SCHEMBL8634075 0.79 RORC (0.45)
SCHEMBL8633916 0.76 ADRB2 (0.35) ADRB2NCF1PLD1CHRM1ITGB3
SCHEMBL8701209 0.74 L3MBTL1 (0.37) ADRB2NCF1PLD1CHRM1ITGB3
SCHEMBL8636258 0.70 OPRM1 (0.36) HRH3CHRM1ITGB3ITGA2B
SCHEMBL8633913 0.69 HRH3 (0.35) HRH3ADRB2NCF1PLD1CHRM1
SCHEMBL8699754 0.67 L3MBTL1 (0.36) ADRB2NCF1PLD1CHRM1ITGB3
SCHEMBL3440218 0.65 CYP2C9 (0.45) HRH3ITGB3ITGA2BCYP2C9TSHR
SCHEMBL8631574 0.64 HRH3 (0.54) HRH3ADRB2NCF1PLD1ITGB3
Hydrochloric Acid SCHEMBL8837964 0.64 ITGB3 (0.45) HRH3ITGB3ITGA2BCYP2C9TSHR
SCHEMBL8701129 0.64 HRH3 (0.48) HRH3ADRB2NCF1PLD1ITGB3

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed