SCHEMBL7370944

SCHEMBL7370944

COC(=O)C1=C(C(F)(F)F)NC(C)=C(C(=O)OCCCCCBr)C1c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.51
ADRA1A P35348 3/20 0.51
SLC6A3 Q01959 3/20 0.51
ABCB11 O95342 3/20 0.51
HTR1A P08908 2/20 0.51
ADRA2A P08913 2/20 0.51
CHRM1 P11229 2/20 0.51
DRD1 P21728 2/20 0.51
SLC6A2 P23975 2/20 0.51
OPRM1 P35372 2/20 0.51
DRD3 P35462 2/20 0.51
KCNH2 Q12809 2/20 0.51
ABCB1 P08183 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADRB3 P13945 2/20 0.51
OPRK1 P41145 2/20 0.51
SCN5A Q14524 2/20 0.51
CACNA1C Q13936 2/20 0.51
KCNK2 O95069 1/20 0.51
ADRB2 P07550 1/20 0.51

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
SCHEMBL7370479 0.99 TBXA2R (0.52) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7446669 0.93 CYP2C9 (0.61) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7552226 0.93 CYP2C9 (0.61) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7369783 0.90 CACNA1C (0.49) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7372306 0.90 CACNA1C (0.49) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7374956 0.84 CACNA1B (0.61) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL9008583 0.81 CACNA1B (0.49) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7446617 0.81 CACNA1C (0.44) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7370072 0.81 CACNA1F (0.51) ADORA3CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL27404285 0.81 CACNA1F (0.62) CACNA1CLMNACACNA1FCACNA1DCACNA1S

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-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed