SCHEMBL8633904

SCHEMBL8633904

CC(=O)C(CCCS(N)(=O)=O)(CC1CCNCC1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
CHRM1 P11229 10/20 0.33
HRH3 Q9Y5N1 3/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
F10 P00742 3/20 0.32
PDGFRA P16234 1/20 0.32
FLT3 P36888 1/20 0.32
MELK Q14680 1/20 0.32
HASPIN Q8TF76 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
SCHEMBL8634078 0.80 HRH3 (0.36) HRH3
SCHEMBL8701123 0.76 ADRB2 (0.42) ADRB2NCF1PLD1HRH3ITGB3
SCHEMBL8636972 0.74 CA12 (0.38) HRH3ITGB3ITGA2BCYP2C9TSHR
SCHEMBL8633913 0.73 HRH3 (0.35) ADRB2NCF1PLD1CHRM1HRH3
Hydrochloric Acid SCHEMBL8838142 0.71 ADRB2 (0.41) ADRB2NCF1PLD1HRH3ITGB3
SCHEMBL8838135 0.71 ADRB2 (0.40) ADRB2NCF1PLD1HRH3ITGB3
SCHEMBL8631565 0.69 ADRB2 (0.44) ADRB2NCF1PLD1HRH3ITGB3
SCHEMBL8637046 0.66 ADRB2 (0.42) ADRB2NCF1PLD1HRH3ITGB3
SCHEMBL8776294 0.66 ITGB3 (0.53) CHRM1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8838080 0.65 ADRB2 (0.53) ADRB2NCF1PLD1HRH3ITGB3

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