SCHEMBL8636258

SCHEMBL8636258

CCCC(N1CCN(c2ccncc2)CC1)S(=O)(=O)N(CC)c1ccccc1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
NPY2R P49146 1/20 0.35
RORC P51449 3/20 0.34
ABCB1 P08183 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM1 P11229 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
SCHEMBL8636260 0.78 SPHK1 (0.35) HRH3RORCSPHK1ITGB3ITGA2B
SCHEMBL8634075 0.77 RORC (0.45) RORC
SCHEMBL8633897 0.70 HRH3 (0.35) HRH3ITGB3ITGA2BCHRM1
SCHEMBL8636978 0.67 ITGB3 (0.41) RORCSPHK1ITGB3ITGA2BCHRM1
SCHEMBL8636259 0.66 NPY2R (0.35) OPRM1HRH3NPY2RABCB1ITGB3
Hydrochloric Acid SCHEMBL8837964 0.66 ITGB3 (0.45) HRH3ITGB3ITGA2B
SCHEMBL22751990 0.64 CHKA (0.47) OPRM1HRH3ITGB3ITGA2B
SCHEMBL8702205 0.64 L3MBTL1 (0.42) RORCITGB3ITGA2BL3MBTL1
SCHEMBL8681189 0.61 ITGB3 (0.42) HRH3NPY2RTP53ITGB3ITGA2B
SCHEMBL8635011 0.61 ITGB3 (0.48) OPRM1HRH3ITGB3ITGA2B

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