SCHEMBL8525144

SCHEMBL8525144

COC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(C)=C(C(=O)OCCC#N)C1c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.61
ADRA1A P35348 3/20 0.61
SLC6A3 Q01959 3/20 0.61
ABCB11 O95342 3/20 0.61
HTR1A P08908 2/20 0.61
ADRA2A P08913 2/20 0.61
CHRM1 P11229 2/20 0.61
DRD1 P21728 2/20 0.61
SLC6A2 P23975 2/20 0.61
OPRM1 P35372 2/20 0.61
DRD3 P35462 2/20 0.61
KCNH2 Q12809 2/20 0.61
ABCB1 P08183 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADRB3 P13945 2/20 0.61
OPRK1 P41145 2/20 0.61
SCN5A Q14524 2/20 0.61
KCNK2 O95069 1/20 0.61
ADRB2 P07550 1/20 0.61
DRD2 P14416 1/20 0.61

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
SCHEMBL5474815 0.91 ABCB11 (0.67) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL3185862 0.90 TBXA2R (0.75) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL31473037 0.90 TBXA2R (0.75) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL4986252 0.90 TBXA2R (0.75) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL5474821 0.87 TBXA2R (0.61) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL3186546 0.87 TBXA2R (0.61) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL4990358 0.87 TBXA2R (0.68) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL4985862 0.86 TBXA2R (0.60) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7291275 0.85 TBXA2R (0.66) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7348263 0.84 HSD17B10 (0.66) TBXA2RADRA1ASLC6A3ABCB11HTR1A

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
WO-2012065527-A1 COMPOUDS AND USES AS L-TYPE CALCIUM CHANNEL BLOCKER AND/OR ACETYLCHOLINESTERASE INHIBITOR THEREOF 江苏先声药物研究有限公司 (CN) 2012-05-24 WO disclosed