SCHEMBL7375366

SCHEMBL7375366

CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OCC)C1c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.67
ADRA1A P35348 3/20 0.67
SLC6A3 Q01959 3/20 0.67
CACNA1C Q13936 3/20 0.67
HTR1A P08908 2/20 0.67
ADRA2A P08913 2/20 0.67
CHRM1 P11229 2/20 0.67
DRD1 P21728 2/20 0.67
SLC6A2 P23975 2/20 0.67
OPRM1 P35372 2/20 0.67
DRD3 P35462 2/20 0.67
KCNH2 Q12809 2/20 0.67
ABCB11 O95342 2/20 0.67
ABCB1 P08183 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
ADRB3 P13945 2/20 0.67
OPRK1 P41145 2/20 0.67
SCN5A Q14524 2/20 0.67
KCNK2 O95069 1/20 0.67
ADRB2 P07550 1/20 0.67

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
SCHEMBL7377868 0.90 TBXA2R (0.67) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL10877640 0.90 TBXA2R (0.70) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL3017208 0.90 CYP2C9 (0.73) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL11732148 0.88 TBXA2R (0.77) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL7376242 0.87 TBXA2R (0.70) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL4542680 0.86 TBXA2R (0.74) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL11523639 0.86 CYP2C9 (0.65) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL7273568 0.85 CYP2C9 (0.67) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL11773884 0.85 TSHR (0.65) TBXA2RADRA1ASLC6A3CACNA1CHTR1A
SCHEMBL3031020 0.85 ADORA3 (0.82) TBXA2RADRA1ASLC6A3CACNA1CHTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed