SCHEMBL8633916

SCHEMBL8633916

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
CHRM1 P11229 7/20 0.35
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
F10 P00742 5/20 0.33
RAMP1 O60894 2/20 0.33
CALCRL Q16602 2/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL8633897 0.76 HRH3 (0.35) ADRB2NCF1PLD1CHRM1ITGB3
SCHEMBL8636978 0.75 ITGB3 (0.41) CHRM1ITGB3ITGA2B
SCHEMBL8636260 0.67 SPHK1 (0.35) CHRM1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8838066 0.67 ITGB3 (0.43) ADRB2NCF1PLD1ITGB3ITGA2B
SCHEMBL8634088 0.67 ITGB3 (0.36) CHRM1ITGB3ITGA2B
SCHEMBL8633913 0.66 HRH3 (0.35) ADRB2NCF1PLD1CHRM1ITGB3
SCHEMBL18788047 0.65 RAMP1 (0.50) ADRB2NCF1PLD1ITGB3ITGA2B
SCHEMBL21197459 0.65 RAMP1 (0.50) ADRB2NCF1PLD1ITGB3ITGA2B
SCHEMBL8634130 0.65 ITGB3 (0.39) ADRB2NCF1PLD1CHRM1ITGB3
SCHEMBL8701209 0.65 L3MBTL1 (0.37) ADRB2NCF1PLD1CHRM1ITGB3

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